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149367-83-9 | 2H-Benzimidazole-2-thione, 1,3-dihydro-4-methoxy-
CAS No: 149367-83-9 Catalog No: AG001LMP MDL No:
Product Description
Catalog Number:
AG001LMP
Chemical Name:
2H-Benzimidazole-2-thione, 1,3-dihydro-4-methoxy-
CAS Number:
149367-83-9
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
4-methoxy-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C8H8N2OS/c1-11-6-4-2-3-5-7(6)10-8(12)9-5/h2-4H,1H3,(H2,9,10,12)
InChI Key:
KHZQQBWBLUZQKT-UHFFFAOYSA-N
SMILES:
COc1cccc2c1[nH]c(=S)[nH]2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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