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690634-07-2 | 1H-BENZOTRIAZOLE-1-CARBOTHIOAMIDE, N-2-THIAZOLYL-
CAS No: 690634-07-2 Catalog No: AG006DJ8 MDL No:
Product Description
Catalog Number:
AG006DJ8
Chemical Name:
1H-BENZOTRIAZOLE-1-CARBOTHIOAMIDE, N-2-THIAZOLYL-
CAS Number:
690634-07-2
Molecular Formula:
C10H7N5S2
Molecular Weight:
261.3261
IUPAC Name:
N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide
InChI:
InChI=1S/C10H7N5S2/c16-10(12-9-11-5-6-17-9)15-8-4-2-1-3-7(8)13-14-15/h1-6H,(H,11,12,16)
InChI Key:
HQCYBFVKEAZBJE-UHFFFAOYSA-N
SMILES:
S=C(n1nnc2c1cccc2)Nc1nccs1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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