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837407-87-1 | 4-Thiazolecarboxylic acid, 5-amino-2-(2-propynylthio)-, ethyl ester
CAS No: 837407-87-1 Catalog No: AG004X1E MDL No:
Product Description
Catalog Number:
AG004X1E
Chemical Name:
4-Thiazolecarboxylic acid, 5-amino-2-(2-propynylthio)-, ethyl ester
CAS Number:
837407-87-1
Molecular Formula:
C9H10N2O2S2
Molecular Weight:
242.3179
IUPAC Name:
ethyl 5-amino-2-prop-2-ynylsulfanyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C9H10N2O2S2/c1-3-5-14-9-11-6(7(10)15-9)8(12)13-4-2/h1H,4-5,10H2,2H3
InChI Key:
HCFAOQQWLWLYPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(sc1N)SCC#C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.311g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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