Home Carboxys ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate

ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate

CAS No.:
59142-20-0
Catalog Number:
AG019WCF
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
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Product Description
Catalog Number:
AG019WCF
Chemical Name:
ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
CAS Number:
59142-20-0
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD03294532
IUPAC Name:
ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C8H8N2O2S/c1-2-12-8(11)6-5-13-7(10-6)3-4-9/h5H,2-3H2,1H3
InChI Key:
JNTAHYMCNUOHBN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)CC#N
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties