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141889-87-4 | 4-Thiazolecarboxylic acid, 2,3-dihydro-2-thioxo-, phenyl ester
CAS No: 141889-87-4 Catalog No: AG001HBL MDL No:
Product Description
Catalog Number:
AG001HBL
Chemical Name:
4-Thiazolecarboxylic acid, 2,3-dihydro-2-thioxo-, phenyl ester
CAS Number:
141889-87-4
Molecular Formula:
C10H7NO2S2
Molecular Weight:
237.2981
IUPAC Name:
phenyl 2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C10H7NO2S2/c12-9(8-6-15-10(14)11-8)13-7-4-2-1-3-5-7/h1-6H,(H,11,14)
InChI Key:
WXIQDKGDUVITNH-UHFFFAOYSA-N
SMILES:
O=C(c1csc(=S)[nH]1)Oc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.291g/mol
Monoisotopic Mass:
236.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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