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92701-21-8 | 1H-Benzimidazole, 2-(octylthio)-
CAS No: 92701-21-8 Catalog No: AG006ER0 MDL No:
Product Description
Catalog Number:
AG006ER0
Chemical Name:
1H-Benzimidazole, 2-(octylthio)-
CAS Number:
92701-21-8
Molecular Formula:
C15H22N2S
Molecular Weight:
262.4136
IUPAC Name:
2-octylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C15H22N2S/c1-2-3-4-5-6-9-12-18-15-16-13-10-7-8-11-14(13)17-15/h7-8,10-11H,2-6,9,12H2,1H3,(H,16,17)
InChI Key:
SAKANVUQFKREHB-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1nc2c([nH]1)cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.415g/mol
Monoisotopic Mass:
262.15g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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