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801998-66-3 | Benzoic acid, thio-, S-(4-methylimidazol-2-yl) ester (8CI)
CAS No: 801998-66-3 Catalog No: AG00G6JI MDL No:
Product Description
Catalog Number:
AG00G6JI
Chemical Name:
Benzoic acid, thio-, S-(4-methylimidazol-2-yl) ester (8CI)
CAS Number:
801998-66-3
IUPAC Name:
S-(5-methyl-1H-imidazol-2-yl) benzenecarbothioate
InChI:
InChI=1S/C11H10N2OS/c1-8-7-12-11(13-8)15-10(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)
InChI Key:
YIRPFWKAYLKHSS-UHFFFAOYSA-N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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