2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene

C8H8Cl2S — CID 79322929

IUPAC2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene
SMILESCC(=Cc1ccc(Cl)s1)CCl
InChIInChI=1S/C8H8Cl2S/c1-6(5-9)4-7-2-3-8(10)11-7/h2-4H,5H2,1H3
InChIKeyRPCOSEGEZHZVFW-UHFFFAOYSA-N
MW207.12 g/mol
LogP4.04
Rot. Bonds2

About 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene

2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene (PubChem CID 79322929) has the molecular formula C8H8Cl2S and a molecular weight of 207.12 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene
PubChem CID79322929
Molecular FormulaC8H8Cl2S
Molecular Weight207.12 g/mol
Exact Mass205.97
IUPAC Name2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene
SMILESCC(=Cc1ccc(Cl)s1)CCl
InChIInChI=1S/C8H8Cl2S/c1-6(5-9)4-7-2-3-8(10)11-7/h2-4H,5H2,1H3
InChIKeyRPCOSEGEZHZVFW-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
methyl 2-acetamido-3-(5-chlorothiophen-2-yl)prop-2-enoate
CID 131851535
butyl 1-(5-chlorothiophen-2-yl)prop-1-ene-2-sulfonate
CID 71424726
2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene
CID 86628502
(Z)-3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954957
ethyl (Z)-2-benzoyl-3-(5-chlorothiophen-2-yl)prop-2-enoate
CID 69186423
(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43394522
2-[(5-chlorothiophen-2-yl)methylidene]-N,N'-diphenylpropanediamide
CID 51111967
3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
CID 79328710
4-(5-chlorothiophen-2-yl)but-3-ene-1-thiol
CID 170477695
2-(5-chlorothiophen-2-yl)ethenesulfonic acid
CID 54555369
4-(3-chloro-2-methylprop-1-enyl)-N,N-dimethylaniline
CID 79322317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene?
The IUPAC name of 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene (CID 79322929) is 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene.
What is the SMILES notation for 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene?
The canonical SMILES for 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene is CC(=Cc1ccc(Cl)s1)CCl.
What is the InChIKey of 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene?
The InChIKey is RPCOSEGEZHZVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2S/c1-6(5-9)4-7-2-3-8(10)11-7/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene?
2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene has a molecular weight of 207.12 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-2-methylprop-1-enyl)thiophene is sourced from PubChem (CID 79322929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).