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2,5-Dichlorothiophene

CAT: 0127-OR10143Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR10143Size:1 Each
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CAS Number
3172-52-9
MDL Number
MFCD00005423
Purity
98%
Smiles
Clc1ccc(Cl)s1

Chemical Information

2,5-Dichlorothiophene

structure in first source

CAS Number3172-52-9
PubChem CID18501
IUPAC Name2,5-dichlorothiophene
Molecular FormulaC4H2Cl2S
Molecular Weight153.03
XLogP3.5
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity58
SMILES
C1=C(SC(=C1)Cl)Cl
InChI
InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
FGYBDASKYMSNCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichlorothiophene
CAS: 3172-52-9
CID: 18501
Formula: C4H2Cl2S
MW: 153.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.03
XLogP33.5
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
Complexity58.7
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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