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75-18-3 molecular structure
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(methylsulfanyl)methane

ChemBase ID: 107157
Molecular Formular: C2H6S
Molecular Mass: 62.13404
Monoisotopic Mass: 62.01902119
SMILES and InChIs

SMILES:
CSC
Canonical SMILES:
CSC
InChI:
InChI=1S/C2H6S/c1-3-2/h1-2H3
InChIKey:
QMMFVYPAHWMCMS-UHFFFAOYSA-N

Cite this record

CBID:107157 http://www.chembase.cn/molecule-107157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methylsulfanyl)methane
IUPAC Systematic name
(Methylsulfanyl)methane
IUPAC Traditional name
dimethyl sulfide
Synonyms
DIMETHYL SULFIDE
DMS
Methyl sulfide
Dimethyl sulfide
甲硫醚
二甲基硫醚
CAS Number
75-18-3
EC Number
200-846-2
MDL Number
MFCD00008562
Beilstein Number
1696847
Merck Index
146123
PubChem SID
24870744
24901306
24866063
24901305
162088796
24856582
PubChem CID
1068
CHEBI ID
17437
CHEMBL
15580
Chemspider ID
1039
FEMA ID
2746
KEGG ID
C00580
MeSH Name
dimethyl+sulfide
Unique Ingredient Identifier
QS3J7O7L3U
Wikipedia Title
Dimethyl_sulfide
Council of Europe Number
483c
Flavis Number
12.006

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2235795  LogD (pH = 7.4) 1.2235795 
Log P 1.2235795  Molar Refractivity 18.8917 cm3
Polarizability 7.4785047 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
Colourless liquid expand Show data source
Liquid expand Show data source
Melting Point
-83°C expand Show data source
-83°C expand Show data source
-98 °C(lit.) expand Show data source
-98.15°C (175K) expand Show data source
Boiling Point
34.85 - 40.85°C (308 - 314 K) expand Show data source
37.3°C expand Show data source
38 °C(lit.) expand Show data source
38°C expand Show data source
Flash Point
-32.8 °F expand Show data source
-36 °C expand Show data source
-48°C(-54°F) expand Show data source
Auto Ignition Point
206 °C expand Show data source
402 °F expand Show data source
Density
0.845 expand Show data source
0.846 g cm-3 expand Show data source
0.846 g/mL at 25 °C(lit.) expand Show data source
0.8483 g/ml expand Show data source
Refractive Index
1.435 expand Show data source
1.4351 expand Show data source
n20/D 1.435 expand Show data source
n20/D 1.435(lit.) expand Show data source
Vapor Pressure
26.24 psi ( 55 °C) expand Show data source
53.7 kPa (at 20 °C) expand Show data source
7.79 psi ( 20 °C) expand Show data source
Vapor Density
2.1 (vs air) expand Show data source
Partition Coefficient
0.977 expand Show data source
Odor
Cabbage, sulfurous expand Show data source
Std enthalpy of combustion
-2.1818--2.1812 MJ mol-1 expand Show data source
Std enthalpy of formation
-66.9--63.9 kJ mol-1 expand Show data source
Organoleptic
sulfurous; vegetable expand Show data source
RTECS
PV5075000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1164 expand Show data source
UN1164 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-22-37/38-41 expand Show data source
11-37/38-41 expand Show data source
R:11-36/37 expand Show data source
R11, R22, R37/38, R41 expand Show data source
Safety Statements
7-9-16-26-29-33-36/39 expand Show data source
9-16-23-26-33-36/37/39 expand Show data source
S:3-9-16-26 expand Show data source
S7, S9, S16, S26, S29, S33, S36/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS corrosion expand Show data source
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
Explode Limits
19.7 % expand Show data source
19.7% expand Show data source
GHS Hazard statements
225, 315, 318, 335 expand Show data source
H225-H315-H318-H335 expand Show data source
H225-H318-H315-H302-H335-H333 expand Show data source
GHS Precautionary statements
210, 261, 280, 305+351+338 expand Show data source
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1164 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
FCC expand Show data source
FDA 21 CFR (172.515) expand Show data source
Gene Information
rat ... Maoa(29253), Maob(25750) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥95.0% (GC) expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
98% expand Show data source
99+% expand Show data source
Grade
anhydrous expand Show data source
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
natural expand Show data source
NI expand Show data source
puriss. expand Show data source
redistilled expand Show data source
Certificate of Analysis
Download expand Show data source
Evaporation Residue
<0.0005% expand Show data source
Impurities
<0.003% water expand Show data source
<0.005% water(100 mL pkg) expand Show data source
Linear Formula
(CH3)2S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202758 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W274615 external link
Packaging
1 kg in glass bottle
9kg packaged in closed-head steel drums; sample, 1kg packaged in glass bottles
1 sample in glass bottle
5, 9, 25 kg in steel drum
Sigma Aldrich - W274623 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle
Sigma Aldrich - 41625 external link
Packaging
1 L in glass bottle
250 mL in glass bottle
Sigma Aldrich - 471577 external link
Packaging
2, 2.5 L in glass bottle
20 L in steel drum
25, 250 mL in glass bottle
Protocols & Applications
Onion (Allium cepa) Plant Profile: bioactives, mechanism of action, references
Sigma Aldrich - 528021 external link
Legal Information
Product of Arkema
Sigma Aldrich - 274380 external link
Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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