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3-Chlorothiophene

CAT: 0127-OR0302-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR0302-01Size:5 g
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CAS Number
17249-80-8
MDL Number
MFCD00043887
Purity
=95%
Smiles
Clc1ccsc1

Chemical Information

3-Chlorothiophene
CAS Number17249-80-8
PubChem CID87017
IUPAC Name3-chlorothiophene
Molecular FormulaC4H3ClS
Molecular Weight118.59
XLogP2.6
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity46
SMILES
C1=CSC=C1Cl
InChI
InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
InChIKey
QUBJDMPBDURTJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chlorothiophene
CAS: 17249-80-8
CID: 87017
Formula: C4H3ClS
MW: 118.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.59
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass117.9643990
Monoisotopic Mass117.9643990
Topological Polar Surface Area28.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity46.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes