3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene

C11H10Cl2S2 — CID 103405682

IUPAC3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene
SMILESCc1csc(C(Cl)Cc2cccs2)c1Cl
InChIInChI=1S/C11H10Cl2S2/c1-7-6-15-11(10(7)13)9(12)5-8-3-2-4-14-8/h2-4,6,9H,5H2,1H3
InChIKeyRREPRRMSCWFKNL-UHFFFAOYSA-N
MW277.24 g/mol
LogP5.29
Rot. Bonds3

About 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene

3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene (PubChem CID 103405682) has the molecular formula C11H10Cl2S2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene.

Molecular Properties

Compound Name3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene
PubChem CID103405682
Molecular FormulaC11H10Cl2S2
Molecular Weight277.24 g/mol
Exact Mass275.96
IUPAC Name3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene
SMILESCc1csc(C(Cl)Cc2cccs2)c1Cl
InChIInChI=1S/C11H10Cl2S2/c1-7-6-15-11(10(7)13)9(12)5-8-3-2-4-14-8/h2-4,6,9H,5H2,1H3
InChIKeyRREPRRMSCWFKNL-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.24
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenyl)-1-chloroethyl]-3-chloro-4-methylthiophene
CID 103405712
2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79206449
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
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2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
3-chloro-4-methyl-2-propan-2-ylthiophene
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1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
CID 103408220
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
CID 63519031
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
2-(2-methylbut-3-ynyl)thiophene
CID 83934797
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene?
The IUPAC name of 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene (CID 103405682) is 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene.
What is the SMILES notation for 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene?
The canonical SMILES for 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene is Cc1csc(C(Cl)Cc2cccs2)c1Cl.
What is the InChIKey of 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene?
The InChIKey is RREPRRMSCWFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2S2/c1-7-6-15-11(10(7)13)9(12)5-8-3-2-4-14-8/h2-4,6,9H,5H2,1H3.
What are the key properties of 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene?
3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene has a molecular weight of 277.24 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene is sourced from PubChem (CID 103405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).