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95041-17-1 | 2H-Benzimidazole-2-carbothioicacid, hydrazide
CAS No: 95041-17-1 Catalog No: AG005TKJ MDL No:
Product Description
Catalog Number:
AG005TKJ
Chemical Name:
2H-Benzimidazole-2-carbothioicacid, hydrazide
CAS Number:
95041-17-1
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
IUPAC Name:
2H-benzimidazole-2-carbothiohydrazide
InChI:
InChI=1S/C8H8N4S/c9-12-8(13)7-10-5-3-1-2-4-6(5)11-7/h1-4,7H,9H2,(H,12,13)
InChI Key:
PBDXGRBLPNZFFN-UHFFFAOYSA-N
SMILES:
NNC(=S)C1N=c2c(=N1)cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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