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74004-74-3 | 5,6-dimethoxy-1H-benzimidazole-2-thiol
CAS No: 74004-74-3 Catalog No: AG00JH1P MDL No:MFCD02103678
Product Description
Catalog Number:
AG00JH1P
Chemical Name:
5,6-dimethoxy-1H-benzimidazole-2-thiol
CAS Number:
74004-74-3
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD02103678
IUPAC Name:
5,6-dimethoxy-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C9H10N2O2S/c1-12-7-3-5-6(4-8(7)13-2)11-9(14)10-5/h3-4H,1-2H3,(H2,10,11,14)
InChI Key:
AIPIIYXJGWHOHR-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(nc2cc1OC)S
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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