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120750-19-8 | Carbamic acid, (4-acetyl-3-methyl-5-isothiazolyl)-, ethyl ester
CAS No: 120750-19-8 Catalog No: AG00HFQC MDL No:MFCD07355840
Product Description
Catalog Number:
AG00HFQC
Chemical Name:
Carbamic acid, (4-acetyl-3-methyl-5-isothiazolyl)-, ethyl ester
CAS Number:
120750-19-8
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD07355840
IUPAC Name:
ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate
InChI:
InChI=1S/C9H12N2O3S/c1-4-14-9(13)10-8-7(6(3)12)5(2)11-15-8/h4H2,1-3H3,(H,10,13)
InChI Key:
JDCAMRDRXRPOOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1snc(c1C(=O)C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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