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1249141-21-6 | Acetic acid, 2-(2-thiazolylthio)-, ethyl ester
CAS No: 1249141-21-6 Catalog No: AG000MVG MDL No:
Product Description
Catalog Number:
AG000MVG
Chemical Name:
Acetic acid, 2-(2-thiazolylthio)-, ethyl ester
CAS Number:
1249141-21-6
Molecular Formula:
C7H9NO2S2
Molecular Weight:
203.2819
IUPAC Name:
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
InChI:
InChI=1S/C7H9NO2S2/c1-2-10-6(9)5-12-7-8-3-4-11-7/h3-4H,2,5H2,1H3
InChI Key:
LEMBTFLKBWNQMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1nccs1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.274g/mol
Monoisotopic Mass:
203.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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