200,000+ products from a single source!
sales@angenechem.com
130593-26-9 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-4-methyl-2-benzothiazolyl)-, (S)- (9CI)
CAS No: 130593-26-9 Catalog No: AG000UOJ MDL No:
Product Description
Catalog Number:
AG000UOJ
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-4-methyl-2-benzothiazolyl)-, (S)- (9CI)
CAS Number:
130593-26-9
Molecular Formula:
C12H10N2O3S2
Molecular Weight:
294.3494
IUPAC Name:
(4S)-2-(6-hydroxy-4-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C12H10N2O3S2/c1-5-2-6(15)3-8-9(5)14-11(19-8)10-13-7(4-18-10)12(16)17/h2-3,7,15H,4H2,1H3,(H,16,17)/t7-/m1/s1
InChI Key:
NIYJAWAPTYCFGV-SSDOTTSWSA-N
SMILES:
OC(=O)[C@H]1CSC(=N1)c1sc2c(n1)c(C)cc(c2)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.343g/mol
Monoisotopic Mass:
294.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.