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139237-77-7 | 2H-Benzimidazole-2-thione, octahydro-, (3aR,7aR)-
CAS No: 139237-77-7 Catalog No: AG001AK9 MDL No:
Product Description
Catalog Number:
AG001AK9
Chemical Name:
2H-Benzimidazole-2-thione, octahydro-, (3aR,7aR)-
CAS Number:
139237-77-7
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
IUPAC Name:
(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)/t5-,6-/m1/s1
InChI Key:
INYFNNKRGLROQV-PHDIDXHHSA-N
SMILES:
S=C1N[C@H]2[C@H](N1)CCCC2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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