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137856-18-9 | 1H-Benzimidazole, 2-[(1H-pyrazol-3-ylmethyl)thio]-
CAS No: 137856-18-9 Catalog No: AG0013Y9 MDL No:
Product Description
Catalog Number:
AG0013Y9
Chemical Name:
1H-Benzimidazole, 2-[(1H-pyrazol-3-ylmethyl)thio]-
CAS Number:
137856-18-9
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
IUPAC Name:
2-(1H-pyrazol-5-ylmethylsulfanyl)-1H-benzimidazole
InChI:
InChI=1S/C11H10N4S/c1-2-4-10-9(3-1)13-11(14-10)16-7-8-5-6-12-15-8/h1-6H,7H2,(H,12,15)(H,13,14)
InChI Key:
QMRIXMJNOCHGJK-UHFFFAOYSA-N
SMILES:
c1[nH]nc(c1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.289g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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