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67624-30-0 | 2H-Benzimidazole-2-thione, 1-hexyl-1,3-dihydro-
CAS No: 67624-30-0 Catalog No: AG00FR0W MDL No:MFCD03964661
Product Description
Catalog Number:
AG00FR0W
Chemical Name:
2H-Benzimidazole-2-thione, 1-hexyl-1,3-dihydro-
CAS Number:
67624-30-0
Molecular Formula:
C13H18N2S
Molecular Weight:
234.3604
MDL Number:
MFCD03964661
IUPAC Name:
3-hexyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H18N2S/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,16)
InChI Key:
WFWILCAZZKHLLP-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(S)nc2c1cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.361g/mol
Monoisotopic Mass:
234.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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