Basic information
- Standard SMILES
Cc1cccc(Nc2nnns2)c1- InChIKey
HFRHSRLGKXPLAP-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696726
Names & identifiers
- Preferred name
- N-(3-methylphenyl)-1,2,3,4-thiatriazol-5-amine
- IUPAC
- N-(3-methylphenyl)thiatriazol-5-amine
Names & synonyms
N-(3-methylphenyl)-1,2,3,4-thiatriazol-5-amineDTXSID201247732AKOS02746163141430-88-0
Database identifiers
- CAS
41430-88-0- PubChem CID
- 12422034
- DTXSID
DTXSID201247732
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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