2-(dichloromethyl)-3-ethylthiophene

C7H8Cl2S — CID 14685355

IUPAC2-(dichloromethyl)-3-ethylthiophene
SMILESCCc1ccsc1C(Cl)Cl
InChIInChI=1S/C7H8Cl2S/c1-2-5-3-4-10-6(5)7(8)9/h3-4,7H,2H2,1H3
InChIKeyVXNWEESCSRPECU-UHFFFAOYSA-N
MW195.11 g/mol
LogP3.79
Rot. Bonds2

About 2-(dichloromethyl)-3-ethylthiophene

2-(dichloromethyl)-3-ethylthiophene (PubChem CID 14685355) has the molecular formula C7H8Cl2S and a molecular weight of 195.11 g/mol. Its IUPAC name is 2-(dichloromethyl)-3-ethylthiophene.

Molecular Properties

Compound Name2-(dichloromethyl)-3-ethylthiophene
PubChem CID14685355
Molecular FormulaC7H8Cl2S
Molecular Weight195.11 g/mol
Exact Mass193.97
IUPAC Name2-(dichloromethyl)-3-ethylthiophene
SMILESCCc1ccsc1C(Cl)Cl
InChIInChI=1S/C7H8Cl2S/c1-2-5-3-4-10-6(5)7(8)9/h3-4,7H,2H2,1H3
InChIKeyVXNWEESCSRPECU-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 53.79
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

ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975785
4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine
CID 79975626
1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
CID 104995454
[(3-chlorothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 107362343
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
CID 79975387
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
CID 105013834
2-[2-chloro-2-(3-ethylthiophen-2-yl)ethyl]pyridine
CID 79975627
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-3-ethylthiophene?
The IUPAC name of 2-(dichloromethyl)-3-ethylthiophene (CID 14685355) is 2-(dichloromethyl)-3-ethylthiophene.
What is the SMILES notation for 2-(dichloromethyl)-3-ethylthiophene?
The canonical SMILES for 2-(dichloromethyl)-3-ethylthiophene is CCc1ccsc1C(Cl)Cl.
What is the InChIKey of 2-(dichloromethyl)-3-ethylthiophene?
The InChIKey is VXNWEESCSRPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2S/c1-2-5-3-4-10-6(5)7(8)9/h3-4,7H,2H2,1H3.
What are the key properties of 2-(dichloromethyl)-3-ethylthiophene?
2-(dichloromethyl)-3-ethylthiophene has a molecular weight of 195.11 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-3-ethylthiophene is sourced from PubChem (CID 14685355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).