Basic information
- CAS
41206-16-0- Standard SMILES
CC(O)COS(C)(=O)=S- InChIKey
MHKJBDXQSICTIK-UHFFFAOYSA-N- Molecular formula
- C4H10O3S2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.00713652
Names & identifiers
- Preferred name
- 2-Hydroxypropyl methanethiolsulfonate
- IUPAC
- 1-methylsulfonothioyloxypropan-2-ol
- English name
- 2-Hydroxypropyl methanethiolsulfonate
- Molecular formula
- C4H10O3S2
- Molecular weight
- 170.25
Names & synonyms
Hpmts2-Hydroxypropyl methanethiolsulfonateBUSAN 100599Z02R5F71DTXSID7052864UNII-99Z02R5F71Methanesulfonic acid, thio-, O-(2-hydroxypropyl) esterO-2-Hydroxypropylester kyseliny methanthiosulfonove [Czech]O-2-Hydroxypropylester kyseliny methanthiosulfonoveMethanesulfonothioic acid, O-(2-hydroxypropyl) esterRefChem:197804DTXCID4031275
Show more names
HYDROXYPROPYLTHIOMETHANESULPHONATE2-HYDROXYPROPYLMETHANETHIOLSULPHONATEMethanethiosulfonic acid O-(2-hydroxypropyl) esterMethanesulfonothioic acid O-(2-hydroxypropyl) ester
41206-16-0SCHEMBL7302022-hydroxypropylmethylthiosulfonateO-2-Hydroxypropyl methanesulfonothioateQ27272253
Database identifiers
- CAS
41206-16-0- PubChem CID
- 93229
- DTXSID
DTXSID7052864- UNII
- 99Z02R5F71
- Nikkaji
- J53.724A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 260.5 · 260.5±42.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- FDA 21 CFR
- 176.3 · 176.300
- FDA UNII
- 99 Z02R5F71 · 99Z02R5F71
- Pesticides Freedom of Information Act (FOIA)
- HPMTS
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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