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Basic information
- CAS
13078-31-4- Standard SMILES
c1ccc(CNc2nnns2)cc1- InChIKey
WPKQBYNPMCKCLA-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696726
Names & identifiers
- Preferred name
- N-benzyl-1,2,3,4-thiatriazol-5-amine
- IUPAC
- N-benzylthiatriazol-5-amine
Names & synonyms
N-benzyl-1,2,3,4-thiatriazol-5-amine13078-31-4DTXSID701256742AKOS000347288benzyl-1,2,3,4-thiatriazol-5-ylamineST085752N-(Phenylmethyl)-1,2,3,4-thiatriazol-5-amine
Database identifiers
- CAS
13078-31-4- PubChem CID
- 926145
- DTXSID
DTXSID701256742- Nikkaji
- J1.811.860B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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