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150093-93-9 | 2H-Benzimidazole-2-thione, 1,3,4,5,6,7-hexahydro-1-(phenylamino)-
CAS No: 150093-93-9 Catalog No: AG001MBY MDL No:
Product Description
Catalog Number:
AG001MBY
Chemical Name:
2H-Benzimidazole-2-thione, 1,3,4,5,6,7-hexahydro-1-(phenylamino)-
CAS Number:
150093-93-9
Molecular Formula:
C13H15N3S
Molecular Weight:
245.3433
IUPAC Name:
3-anilino-4,5,6,7-tetrahydro-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H15N3S/c17-13-14-11-8-4-5-9-12(11)16(13)15-10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,14,17)
InChI Key:
KVUXDMZQVSUTQN-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c(n1Nc1ccccc1)CCCC2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.344g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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