1H-Benzotriazole, 1,1'-carbonothioylbis-


Chemical Name: 1H-Benzotriazole, 1,1'-carbonothioylbis-
CAS Number: 4314-19-6
Product Number: AG00DJ26(AGN-PC-0JXYZL)
Synonyms:
MDL No:
Molecular Formula: C13H8N6S
Molecular Weight: 280.3078

Identification/Properties


Computed Properties
Molecular Weight:
280.309g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
280.053g/mol
Monoisotopic Mass:
280.053g/mol
Topological Polar Surface Area:
93.5A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
357
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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