CID 45316401
PubChem CID
45316401
Structure
Molecular Formula
Status
Non-live
Molecular Weight
332.4 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-5-(methylsulfamoyl)benzoic acid
InChI=1S/C11H12N2O4S3/c1-12-20(16,17)7-2-3-9(8(6-7)10(14)15)19-11-13-4-5-18-11/h2-3,6,12H,4-5H2,1H3,(H,14,15)
KMRVHOBXZQTLEZ-UHFFFAOYSA-N
CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NCCS2)C(=O)O
C11H12N2O4S3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
332.4 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
331.99592039 g/mol
Property Name
Monoisotopic Mass
Property Value
331.99592039 g/mol
Property Name
Topological Polar Surface Area
Property Value
155 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
500
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
CONTENTS