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146947-24-2 | Thiazolo[2,3-c][1,4]thiazine-8-carboxylic acid, 5,6-dihydro-, ethyl ester
CAS No: 146947-24-2 Catalog No: AG001EGU MDL No:
Product Description
Catalog Number:
AG001EGU
Chemical Name:
Thiazolo[2,3-c][1,4]thiazine-8-carboxylic acid, 5,6-dihydro-, ethyl ester
CAS Number:
146947-24-2
Molecular Formula:
C9H11NO2S2
Molecular Weight:
229.3191
IUPAC Name:
ethyl 5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
InChI:
InChI=1S/C9H11NO2S2/c1-2-12-9(11)7-8-10(3-5-13-7)4-6-14-8/h4,6H,2-3,5H2,1H3
InChI Key:
UQQPFHUNQWYPTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=c2sccn2CCS1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.312g/mol
Monoisotopic Mass:
229.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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