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929974-69-6 | 2-[[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]THIO]BENZOIC ACID
CAS No: 929974-69-6 Catalog No: AG00GUH8 MDL No:MFCD08729239
Product Description
Catalog Number:
AG00GUH8
Chemical Name:
2-[[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]THIO]BENZOIC ACID
CAS Number:
929974-69-6
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
MDL Number:
MFCD08729239
IUPAC Name:
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid
InChI:
InChI=1S/C12H11NO2S2/c1-8-13-9(6-16-8)7-17-11-5-3-2-4-10(11)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
RHVVLUPGDJHJEX-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)CSc1ccccc1C(=O)O
Properties
Complexity:
275
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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