Basic information
- CAS
16890-80-5- Standard SMILES
O=CS- InChIKey
AWIJRPNMLHPLNC-UHFFFAOYSA-N- Molecular formula
- CH2OS
- Average molar mass
- 62.09 g/mol
- Monoisotopic mass
- 61.98263586
Names & identifiers
- Preferred name
- methanethioic S-acid
- IUPAC
- methanethioic S-acid
Names & synonyms
methanethioic S-acid16890-80-5DTXSID30333974RefChem:1089089DTXCID70285064HC(O)SHthiocarboxylic acidRacecadotril Impurity 3SCHEMBL34846SCHEMBL80593SCHEMBL93677SCHEMBL130535
Show more names
SCHEMBL130536SCHEMBL134185SCHEMBL262302SCHEMBL6509979
Database identifiers
- CAS
16890-80-5- PubChem CID
- 519335
- DTXSID
DTXSID30333974- Nikkaji
- J788.577F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 12.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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