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1485286-94-9 | 5-Thiazolecarboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester
CAS No: 1485286-94-9 Catalog No: AG001KZM MDL No:
Product Description
Catalog Number:
AG001KZM
Chemical Name:
5-Thiazolecarboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester
CAS Number:
1485286-94-9
Molecular Formula:
C6H7NO2S2
Molecular Weight:
189.2553
IUPAC Name:
ethyl 2-sulfanylidene-3H-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C6H7NO2S2/c1-2-9-5(8)4-3-7-6(10)11-4/h3H,2H2,1H3,(H,7,10)
InChI Key:
NHUBXQKQVVRFON-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c(=S)s1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.247g/mol
Monoisotopic Mass:
188.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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