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929975-68-8 | 4-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}benzoic acid
CAS No: 929975-68-8 Catalog No: AG019KHH MDL No:MFCD09040468
Product Description
Catalog Number:
AG019KHH
Chemical Name:
4-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}benzoic acid
CAS Number:
929975-68-8
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
MDL Number:
MFCD09040468
IUPAC Name:
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid
InChI:
InChI=1S/C12H11NO2S2/c1-8-13-10(6-16-8)7-17-11-4-2-9(3-5-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
XVQDEHGZVIANBD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SCc1csc(n1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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