2-(1,1-dichloroethyl)thiophene

C6H6Cl2S — CID 12555703

IUPAC2-(1,1-dichloroethyl)thiophene
SMILESCC(Cl)(Cl)c1cccs1
InChIInChI=1S/C6H6Cl2S/c1-6(7,8)5-3-2-4-9-5/h2-4H,1H3
InChIKeyJROMZZKMBMPFHQ-UHFFFAOYSA-N
MW181.09 g/mol
LogP3.40
Rot. Bonds1

About 2-(1,1-dichloroethyl)thiophene

2-(1,1-dichloroethyl)thiophene (PubChem CID 12555703) has the molecular formula C6H6Cl2S and a molecular weight of 181.09 g/mol. Its IUPAC name is 2-(1,1-dichloroethyl)thiophene.

Molecular Properties

Compound Name2-(1,1-dichloroethyl)thiophene
PubChem CID12555703
Molecular FormulaC6H6Cl2S
Molecular Weight181.09 g/mol
Exact Mass179.96
IUPAC Name2-(1,1-dichloroethyl)thiophene
SMILESCC(Cl)(Cl)c1cccs1
InChIInChI=1S/C6H6Cl2S/c1-6(7,8)5-3-2-4-9-5/h2-4H,1H3
InChIKeyJROMZZKMBMPFHQ-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 53.40
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

2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-tert-butylthiophene;methanamine
CID 143976463
2-[chloro(difluoro)methyl]thiophene
CID 15727491
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-[dichloro(phenyl)methyl]thiophene
CID 12792430
2-tert-butylthiophene;oxaldehyde
CID 175171370
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene
CID 139749250
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
CID 126728897

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dichloroethyl)thiophene?
The IUPAC name of 2-(1,1-dichloroethyl)thiophene (CID 12555703) is 2-(1,1-dichloroethyl)thiophene.
What is the SMILES notation for 2-(1,1-dichloroethyl)thiophene?
The canonical SMILES for 2-(1,1-dichloroethyl)thiophene is CC(Cl)(Cl)c1cccs1.
What is the InChIKey of 2-(1,1-dichloroethyl)thiophene?
The InChIKey is JROMZZKMBMPFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2S/c1-6(7,8)5-3-2-4-9-5/h2-4H,1H3.
What are the key properties of 2-(1,1-dichloroethyl)thiophene?
2-(1,1-dichloroethyl)thiophene has a molecular weight of 181.09 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dichloroethyl)thiophene is sourced from PubChem (CID 12555703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).