1H-Benzotriazole-1-carbothioamide, N-2-propenyl-


Chemical Name: 1H-Benzotriazole-1-carbothioamide, N-2-propenyl-
CAS Number: 690634-06-1
Product Number: AG005LRM(AGN-PC-0KT1S5)
Synonyms:
MDL No:
Molecular Formula: C10H10N4S
Molecular Weight: 218.2782

Identification/Properties


Computed Properties
Molecular Weight:
218.278g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
218.063g/mol
Monoisotopic Mass:
218.063g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
256
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

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NMR Spectrum


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