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CID 30583101

PubChem CID
30583101
Structure
CID 30583101_small.png
Molecular Formula
Status
Non-live
Molecular Weight
293.8 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 30583101.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide

2.1.2 InChI

InChI=1S/C10H12ClNO3S2/c1-10(4-5-17(14,15)6-10)12-9(13)7-2-3-8(11)16-7/h2-3H,4-6H2,1H3,(H,12,13)/t10-/m1/s1

2.1.3 InChIKey

ZMMSWOXSOVGEOP-SNVBAGLBSA-N

2.1.4 SMILES

C[C@]1(CCS(=O)(=O)C1)NC(=O)C2=CC=C(S2)Cl

2.2 Molecular Formula

C10H12ClNO3S2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
293.8 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
292.9947133 g/mol
Property Name
Monoisotopic Mass
Property Value
292.9947133 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.9 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
420
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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

5 Information Sources

CONTENTS