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95306-53-9 | 4,7-dimethoxy-1H-benzimidazole-2-thiol
CAS No: 95306-53-9 Catalog No: AG00JHJX MDL No:MFCD08583032
Product Description
Catalog Number:
AG00JHJX
Chemical Name:
4,7-dimethoxy-1H-benzimidazole-2-thiol
CAS Number:
95306-53-9
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD08583032
IUPAC Name:
4,7-dimethoxy-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C9H10N2O2S/c1-12-5-3-4-6(13-2)8-7(5)10-9(14)11-8/h3-4H,1-2H3,(H2,10,11,14)
InChI Key:
WCMTVWLAEJYDMQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]c(n2)S)OC
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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