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20607-43-6 molecular structure
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(propan-2-ylsulfanyl)sodium

ChemBase ID: 152039
Molecular Formular: C3H7NaS
Molecular Mass: 98.14245
Monoisotopic Mass: 98.01661551
SMILES and InChIs

SMILES:
CC(C)S[Na]
Canonical SMILES:
[Na]SC(C)C
InChI:
InChI=1S/C3H8S.Na/c1-3(2)4;/h3-4H,1-2H3;/q;+1/p-1
InChIKey:
NQHKCHWQDDWQJR-UHFFFAOYSA-M

Cite this record

CBID:152039 http://www.chembase.cn/molecule-152039.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(propan-2-ylsulfanyl)sodium
IUPAC Traditional name
(isopropylsulfanyl)sodium
Synonyms
2-Propanethiol sodium salt
Sodium 2-propanethiolate
2-丙硫醇 钠盐
2-丙烷硫醇钠
CAS Number
20607-43-6
MDL Number
MFCD00043314
Beilstein Number
3618618
PubChem SID
24886324
162246185
PubChem CID
3470666

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
71916 external link Add to cart Please log in.
Data Source Data ID
PubChem 3470666 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1742  LogD (pH = 7.4) -0.1742 
Log P -0.1742  Molar Refractivity 22.6854 cm3
Polarizability 10.950782 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3263 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 3 expand Show data source
Purity
≥90.0% (RT) expand Show data source
Grade
technical expand Show data source
Linear Formula
(CH3)2CHSNa expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 71916 external link
Other Notes
Intermediate for the synthesis of various thiol esters and thio ethers. Synthesis of polymercapto-arenes from polyhalides via poly(isopropyl thio ethers)1
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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