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Home > Imidazoles > 931581-17-8
931581-17-8 | 2-Mercapto-4,5,6,7-d4-benzimidazole
CAS No: 931581-17-8 Catalog No: AG0065M6 MDL No:
Product Description
Catalog Number:
AG0065M6
Chemical Name:
2-Mercapto-4,5,6,7-d4-benzimidazole
CAS Number:
931581-17-8
Molecular Formula:
C7H2D4N2S
Molecular Weight:
154.2256
IUPAC Name:
4,5,6,7-tetradeuterio-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)/i1D,2D,3D,4D
InChI Key:
YHMYGUUIMTVXNW-RHQRLBAQSA-N
SMILES:
Sc1[nH]c2c(n1)c([2H])c(c(c2[2H])[2H])[2H]
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
154.223g/mol
Monoisotopic Mass:
154.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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