Basic information
- CAS
49594-30-1- Standard SMILES
O=S(=O)(O)CCCS- InChIKey
OBDVFOBWBHMJDG-UHFFFAOYSA-N- Molecular formula
- C3H8O3S2
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 155.99148646
Names & identifiers
- Preferred name
- 1-Propanesulfonic acid, 3-mercapto-
- IUPAC
- 3-sulfanylpropane-1-sulfonic acid
- English name
- 3-mercaptopropanesulphonic acid
- Molecular formula
- C3H8O3S2
- Molecular weight
- 156.22382
Names & synonyms
3-Mercapto-1-propanesulfonic acid49594-30-11-Propanesulfonic acid, 3-mercapto-EINECS 256-393-6DTXSID5068499RefChem:77138DTXCID00407013-sulfanylpropane-1-sulfonic acid3-Mercaptopropanesulphonic acidTYH54NG95YUNII-TYH54NG95Y3-mercaptopropylsulfonic acid
Show more names
3-Mercaptopropanesulfonic acidSCHEMBL185125SCHEMBL513656SCHEMBL27297004AKOS006227646NS00006788EN300-7280337Q4634155
Database identifiers
- CAS
49594-30-1- PubChem CID
- 87206
- DTXSID
DTXSID5068499- UNII
- TYH54NG95Y
- EC Number
- 256-393-6
- Nikkaji
- J319.985A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- FDA UNII
- 54 NG95Y · TYH54NG95Y
- EPA Substance Registry System
- 1 · 1-Propanesulfonic acid, 3-mercapto- (49594-30-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanesulfonic acid, 3-mercapto-: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
15 records
Compound notes
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