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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 936108Generated: October 23, 2026

1,2,3,4-Thiatriazol-5-amine, N-(4-chlorophenyl)-

https://huagongshe.com/en/chemical/936108

1,2,3,4-Thiatriazol-5-amine, N-(4-chlorophenyl)- molecular structure

Identifiers & Physical Properties

CAS No.13078-27-8
Molecular formulaC7H5ClN4S
Average molar mass212.66 g/mol
Monoisotopic mass211.99234484 g/mol
SMILESClc1ccc(Nc2nnns2)cc1
InChIKeyYFYMEIRRZFZFGO-UHFFFAOYSA-N
PubChem CID936108
DTXSIDDTXSID50359075

Chemical & Physical Properties

XLogP2.8
Topological polar surface area78.9
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds2
Heavy atoms13
Formal charge0
Complexity163