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124508-94-7 | 4-Thiazolidinecarboxylic acid, 2-[4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolyl]-3,4-dimethyl- (9CI)
CAS No: 124508-94-7 Catalog No: AG000M4V MDL No:
Product Description
Catalog Number:
AG000M4V
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-[4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolyl]-3,4-dimethyl- (9CI)
CAS Number:
124508-94-7
Molecular Formula:
C15H18N2O3S2
Molecular Weight:
338.4450
IUPAC Name:
2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3,4-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C15H18N2O3S2/c1-15(14(19)20)8-22-13(17(15)2)10-7-21-12(16-10)9-5-3-4-6-11(9)18/h3-6,10,13,18H,7-8H2,1-2H3,(H,19,20)
InChI Key:
IYXVCNSDGXPAND-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CSC(N1C)C1CSC(=N1)c1ccccc1O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.44g/mol
Monoisotopic Mass:
338.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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