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2,4-Dichlorothiophene

CAT: 0127-OR52329Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR52329Size:1 Each
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CAS Number
17249-75-1
MDL Number
MFCD18451791
Purity
=95%
Smiles
Clc1csc(Cl)c1
Storage Conditions
Store at 2-8°C

Chemical Information

2,4-Dichlorothiophene
CAS Number17249-75-1
PubChem CID140204
IUPAC Name2,4-dichlorothiophene
Molecular FormulaC4H2Cl2S
Molecular Weight153.03
XLogP3.2
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity66
SMILES
C1=C(SC=C1Cl)Cl
InChI
InChI=1S/C4H2Cl2S/c5-3-1-4(6)7-2-3/h1-2H
InChIKey
DFYVFNNIILYXRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichlorothiophene
CAS: 17249-75-1
CID: 140204
Formula: C4H2Cl2S
MW: 153.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.03
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass151.9254266
Monoisotopic Mass151.9254266
Topological Polar Surface Area28.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity66.7
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

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