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1072-43-1 molecular structure
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2-methylthiirane

ChemBase ID: 150025
Molecular Formular: C3H6S
Molecular Mass: 74.14474
Monoisotopic Mass: 74.01902119
SMILES and InChIs

SMILES:
CC1CS1
Canonical SMILES:
CC1CS1
InChI:
InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3
InChIKey:
MBNVSWHUJDDZRH-UHFFFAOYSA-N

Cite this record

CBID:150025 http://www.chembase.cn/molecule-150025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylthiirane
IUPAC Traditional name
thiirane, methyl-
Synonyms
Methylthiirane
Propylene sulfide
2-甲基环硫乙烷
硫化丙烯
CAS Number
1072-43-1
EC Number
214-007-3
MDL Number
MFCD00005160
Beilstein Number
383559
PubChem SID
24898621
162244187
PubChem CID
14072

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14072 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9234345  LogD (pH = 7.4) 0.9234345 
Log P 0.9234345  Molar Refractivity 21.7201 cm3
Polarizability 8.591438 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
72-75 °C(lit.) expand Show data source
Flash Point
10 °C expand Show data source
50 °F expand Show data source
Density
0.946 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.475 expand Show data source
n20/D 1.475(lit.) expand Show data source
RTECS
TZ2625000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1992 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-20/22-36/38 expand Show data source
Safety Statements
16-26-36 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H315-H319-H332 expand Show data source
GHS Precautionary statements
P210-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1992 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥96% expand Show data source
≥96.0% (GC) expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C3H6S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P53209 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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