CID 42579994
PubChem CID
42579994
Structure
Molecular Formula
Status
Non-live
Molecular Weight
232.28 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
4-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxylate
InChI=1S/C12H11NO2S/c1-7-3-4-8(2)9(5-7)10-6-16-11(13-10)12(14)15/h3-6H,1-2H3,(H,14,15)/p-1
ONTNYTCJEFPHSY-UHFFFAOYSA-M
CC1=CC(=C(C=C1)C)C2=CSC(=N2)C(=O)[O-]
C12H10NO2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
232.28 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
232.04322474 g/mol
Property Name
Monoisotopic Mass
Property Value
232.04322474 g/mol
Property Name
Topological Polar Surface Area
Property Value
81.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
266
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS