Home Carboxys Ethyl 2-(4-methylpent-2-enoyl)thiazole-4-carboxylate

Ethyl 2-(4-methylpent-2-enoyl)thiazole-4-carboxylate

CAS No.:
944559-46-0
Catalog Number:
AG01EMZN
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
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Product Description
Catalog Number:
AG01EMZN
Chemical Name:
Ethyl 2-(4-methylpent-2-enoyl)thiazole-4-carboxylate
CAS Number:
944559-46-0
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
MDL Number:
MFCD27635175
IUPAC Name:
ethyl 2-[(E)-4-methylpent-2-enoyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C12H15NO3S/c1-4-16-12(15)9-7-17-11(13-9)10(14)6-5-8(2)3/h5-8H,4H2,1-3H3/b6-5+
InChI Key:
ZCMCSYZGDZAHMF-AATRIKPKSA-N
SMILES:
CCOC(=O)c1csc(n1)C(=O)/C=C/C(C)C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties