3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene

C11H10Cl2S — CID 130985190

IUPAC3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene
SMILESCCc1c(CCl)ccc2c(Cl)csc12
InChIInChI=1S/C11H10Cl2S/c1-2-8-7(5-12)3-4-9-10(13)6-14-11(8)9/h3-4,6H,2,5H2,1H3
InChIKeyOJEQGOHODXFTGT-UHFFFAOYSA-N
MW245.17 g/mol
LogP4.86
Rot. Bonds2

About 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene

3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene (PubChem CID 130985190) has the molecular formula C11H10Cl2S and a molecular weight of 245.17 g/mol. Its IUPAC name is 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene.

Molecular Properties

Compound Name3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene
PubChem CID130985190
Molecular FormulaC11H10Cl2S
Molecular Weight245.17 g/mol
Exact Mass243.99
IUPAC Name3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene
SMILESCCc1c(CCl)ccc2c(Cl)csc12
InChIInChI=1S/C11H10Cl2S/c1-2-8-7(5-12)3-4-9-10(13)6-14-11(8)9/h3-4,6H,2,5H2,1H3
InChIKeyOJEQGOHODXFTGT-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 54.86
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

3-chloro-6-ethyl-1-benzothiophen-7-ol
CID 130865255
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde
CID 131029361
(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
CID 131196624
3-(bromomethyl)-7-ethyl-6-methyl-1-benzothiophene
CID 131053455
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894
3-chloro-7-(chloromethyl)-1-benzothiophen-4-amine
CID 130969549
3,7-dichloro-5-(chloromethyl)-1-benzothiophene
CID 131169653
3-chloro-6-ethyl-1-benzothiophene
CID 91757441
7-chloro-4-(chloromethyl)-3-methylsulfanyl-1-benzothiophene
CID 131030878
7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 131029505
6-chloro-7-(chloromethyl)-1-benzothiophene-3-carbonitrile
CID 130792406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene?
The IUPAC name of 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene (CID 130985190) is 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene.
What is the SMILES notation for 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene?
The canonical SMILES for 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene is CCc1c(CCl)ccc2c(Cl)csc12.
What is the InChIKey of 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene?
The InChIKey is OJEQGOHODXFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2S/c1-2-8-7(5-12)3-4-9-10(13)6-14-11(8)9/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene?
3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene has a molecular weight of 245.17 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(chloromethyl)-7-ethyl-1-benzothiophene is sourced from PubChem (CID 130985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).