Home Carboxys Ethyl 2-isopropylthiazole-4-carboxylate

Ethyl 2-isopropylthiazole-4-carboxylate

CAS No.:
133047-44-6
Catalog Number:
AG0011KB
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
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Product Description
Catalog Number:
AG0011KB
Chemical Name:
Ethyl 2-isopropylthiazole-4-carboxylate
CAS Number:
133047-44-6
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD09025787
IUPAC Name:
ethyl 2-propan-2-yl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5-13-8(10-7)6(2)3/h5-6H,4H2,1-3H3
InChI Key:
AQWWEQDAHKVXMK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C(C)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties