Basic information
- CAS
6944-91-8- Standard SMILES
CSC(=O)NNc1nc2ccccc2s1- InChIKey
HRSILOJKUFBOML-UHFFFAOYSA-N- Molecular formula
- C9H9N3OS2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.01870427
Names & identifiers
- Preferred name
- S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
- IUPAC
- S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
Names & synonyms
6944-91-8NSC59321DTXSID00989301NSC-59321S-Methyl hydrogen 1,3-benzothiazol-2-ylcarbonohydrazonothioate
Database identifiers
- CAS
6944-91-8- PubChem CID
- 246367
- DTXSID
DTXSID00989301
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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