Basic information
- CAS
21325-07-5- Standard SMILES
CSC(N)=O- InChIKey
LADHHNUVWRWPRH-UHFFFAOYSA-N- Molecular formula
- C2H5NOS
- Average molar mass
- 91.13 g/mol
- Monoisotopic mass
- 91.00918478
Names & identifiers
- Preferred name
- Carbamothioic acid, S-methyl ester
- IUPAC
- S-methyl carbamothioate
Names & synonyms
S-methyl carbamothioateCarbamothioic acid, S-methyl ester21325-07-5s-methyl thiocarbamateDTXSID90175599RefChem:123460DTXCID1098090(methylsulfanyl)formamide2-thiapropioamideSCHEMBL254299SCHEMBL5905852SCHEMBL7279305
Show more names
thiocarbamic acid S-methyl esterLADHHNUVWRWPRH-UHFFFAOYSA-NAKOS006337431EN300-7215115
Database identifiers
- CAS
21325-07-5- PubChem CID
- 179359
- DTXSID
DTXSID90175599- EC Number
- 843-474-1
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 44.9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
3 records
Compound notes
Loading…