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332904-20-8 | 1H-BENZIMIDAZOLE, 2-[(1H-1,2,4-TRIAZOL-3-YLTHIO)METHYL]-
CAS No: 332904-20-8 Catalog No: AG00CWP6 MDL No:
Product Description
Catalog Number:
AG00CWP6
Chemical Name:
1H-BENZIMIDAZOLE, 2-[(1H-1,2,4-TRIAZOL-3-YLTHIO)METHYL]-
CAS Number:
332904-20-8
IUPAC Name:
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C10H9N5S/c1-2-4-8-7(3-1)13-9(14-8)5-16-10-11-6-12-15-10/h1-4,6H,5H2,(H,13,14)(H,11,12,15)
InChI Key:
KUVXYDYFZZOZAP-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.277g/mol
Monoisotopic Mass:
231.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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