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610275-11-1 | 1-Isopentyl-1H-benzimidazole-2-thiol
CAS No: 610275-11-1 Catalog No: AG00JA96 MDL No:MFCD03672638
Product Description
Catalog Number:
AG00JA96
Chemical Name:
1-Isopentyl-1H-benzimidazole-2-thiol
CAS Number:
610275-11-1
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
MDL Number:
MFCD03672638
IUPAC Name:
3-(3-methylbutyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C12H16N2S/c1-9(2)7-8-14-11-6-4-3-5-10(11)13-12(14)15/h3-6,9H,7-8H2,1-2H3,(H,13,15)
InChI Key:
VMUBBILWOSMHDZ-UHFFFAOYSA-N
SMILES:
CC(CCn1c(S)nc2c1cccc2)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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