Basic information
- CAS
6944-90-7- Standard SMILES
CSC(=O)NNC(=O)c1ccncc1- InChIKey
SUUKODXPMHUUSN-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.04154771
Names & identifiers
- Preferred name
- S-methyl N-(pyridine-4-carbonylamino)carbamothioate
- IUPAC
- S-methyl N-(pyridine-4-carbonylamino)carbamothioate
Names & synonyms
NSC593206944-90-7S-methyl N-(pyridine-4-carbonylamino)carbamothioateSCHEMBL2997224DTXSID40989300S-Methyl hydrogen (pyridine-4-carbonyl)carbonohydrazonothioateNSC-59320S-Methyl 2-isonicotinoylhydrazinecarbothioate
Database identifiers
- CAS
6944-90-7- PubChem CID
- 246366
- DTXSID
DTXSID40989300
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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