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227103-03-9 | 2H-Benzimidazole-2-thione, 1,3-bis(2,2-dimethylpropyl)-1,3-dihydro-
CAS No: 227103-03-9 Catalog No: AG007O04 MDL No:
Product Description
Catalog Number:
AG007O04
Chemical Name:
2H-Benzimidazole-2-thione, 1,3-bis(2,2-dimethylpropyl)-1,3-dihydro-
CAS Number:
227103-03-9
Molecular Formula:
C17H26N2S
Molecular Weight:
290.4667
IUPAC Name:
1,3-bis(2,2-dimethylpropyl)benzimidazole-2-thione
InChI:
InChI=1S/C17H26N2S/c1-16(2,3)11-18-13-9-7-8-10-14(13)19(15(18)20)12-17(4,5)6/h7-10H,11-12H2,1-6H3
InChI Key:
OSXBEKVFBNEYPT-UHFFFAOYSA-N
SMILES:
CC(Cn1c2ccccc2n(c1=S)CC(C)(C)C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.182g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.469g/mol
Monoisotopic Mass:
290.182g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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