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832150-79-5 | Benzoic acid, 4-[2-(4-oxo-2-thioxo-3-thiazolidinyl)ethyl]-
CAS No: 832150-79-5 Catalog No: AG0057Y6 MDL No:
Product Description
Catalog Number:
AG0057Y6
Chemical Name:
Benzoic acid, 4-[2-(4-oxo-2-thioxo-3-thiazolidinyl)ethyl]-
CAS Number:
832150-79-5
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
IUPAC Name:
4-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]benzoic acid
InChI:
InChI=1S/C12H11NO3S2/c14-10-7-18-12(17)13(10)6-5-8-1-3-9(4-2-8)11(15)16/h1-4H,5-7H2,(H,15,16)
InChI Key:
CDZYALGDGVIEJH-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1CCc1ccc(cc1)C(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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