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Home > Thiazole > 1092289-59-2
1092289-59-2 | Ethyl 4-cyano-3-methylisothiazol-5-ylcarbamate
CAS No: 1092289-59-2 Catalog No: AG00HBB3 MDL No:MFCD11108816
Product Description
Catalog Number:
AG00HBB3
Chemical Name:
Ethyl 4-cyano-3-methylisothiazol-5-ylcarbamate
CAS Number:
1092289-59-2
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD11108816
IUPAC Name:
ethyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
InChI:
InChI=1S/C8H9N3O2S/c1-3-13-8(12)10-7-6(4-9)5(2)11-14-7/h3H2,1-2H3,(H,10,12)
InChI Key:
LAUBIZYDCJAKOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1snc(c1C#N)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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