CID 47180069
PubChem CID
47180069
Structure
Molecular Formula
Status
Non-live
Molecular Weight
284.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-(1,1-dioxothiolan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
InChI=1S/C11H12N2O3S2/c1-7-5-17-11(13-7)9(4-12)10(14)8-2-3-18(15,16)6-8/h5,8-9H,2-3,6H2,1H3
GIIPXOBKEQLQGZ-UHFFFAOYSA-N
CC1=CSC(=N1)C(C#N)C(=O)C2CCS(=O)(=O)C2
C11H12N2O3S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
284.4 g/mol
Property Name
XLogP3-AA
Property Value
0.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
284.02893460 g/mol
Property Name
Monoisotopic Mass
Property Value
284.02893460 g/mol
Property Name
Topological Polar Surface Area
Property Value
125 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
488
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
2
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
CONTENTS