3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole

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Basic information

CAS: 52747-54-3
Standard SMILES: Cc1ccc2c(c1)sc1nnc(C)n12
InChIKey: GMZULTAPVYULPI-UHFFFAOYSA-N
Molecular formula: C10H9N3S
Average molar mass: 203.27 g/mol
Monoisotopic mass: 203.05171847

Names & identifiers

Preferred name: 3,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
IUPAC: 1,6-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Names & synonyms

52747-54-33,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazoleIX3LB4QZV2UNII-IX3LB4QZV2NSC 295707NSC-295707DTXSID502007303,7-DIMETHYL-1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE3,7-Dimethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE, 3,7-DIMETHYL-RefChem:91876DTXCID80123221

Show more names

1,6-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazoleNSC2957073,7-dimethylbenzo[4,5]thiazolo[2,3-c][1,2,4]triazole3,10-dimethyl-7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaeneSCHEMBL11536264AKOS026700389F3162-0070

Database identifiers

CAS: 52747-54-3
PubChem CID: 326029
DTXSID: DTXSID50200730
UNII: IX3LB4QZV2

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 235

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Compound notes

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