3,5-dichloro-4-methoxy-1-benzothiophene

C9H6Cl2OS — CID 130865286

IUPAC3,5-dichloro-4-methoxy-1-benzothiophene
SMILESCOc1c(Cl)ccc2scc(Cl)c12
InChIInChI=1S/C9H6Cl2OS/c1-12-9-5(10)2-3-7-8(9)6(11)4-13-7/h2-4H,1H3
InChIKeyUIBCIOVINLCMHW-UHFFFAOYSA-N
MW233.12 g/mol
LogP4.22
Rot. Bonds1

About 3,5-dichloro-4-methoxy-1-benzothiophene

3,5-dichloro-4-methoxy-1-benzothiophene (PubChem CID 130865286) has the molecular formula C9H6Cl2OS and a molecular weight of 233.12 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-1-benzothiophene
PubChem CID130865286
Molecular FormulaC9H6Cl2OS
Molecular Weight233.12 g/mol
Exact Mass231.95
IUPAC Name3,5-dichloro-4-methoxy-1-benzothiophene
SMILESCOc1c(Cl)ccc2scc(Cl)c12
InChIInChI=1S/C9H6Cl2OS/c1-12-9-5(10)2-3-7-8(9)6(11)4-13-7/h2-4H,1H3
InChIKeyUIBCIOVINLCMHW-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-1-benzothiophene?
The IUPAC name of 3,5-dichloro-4-methoxy-1-benzothiophene (CID 130865286) is 3,5-dichloro-4-methoxy-1-benzothiophene.
What is the SMILES notation for 3,5-dichloro-4-methoxy-1-benzothiophene?
The canonical SMILES for 3,5-dichloro-4-methoxy-1-benzothiophene is COc1c(Cl)ccc2scc(Cl)c12.
What is the InChIKey of 3,5-dichloro-4-methoxy-1-benzothiophene?
The InChIKey is UIBCIOVINLCMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2OS/c1-12-9-5(10)2-3-7-8(9)6(11)4-13-7/h2-4H,1H3.
What are the key properties of 3,5-dichloro-4-methoxy-1-benzothiophene?
3,5-dichloro-4-methoxy-1-benzothiophene has a molecular weight of 233.12 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-1-benzothiophene is sourced from PubChem (CID 130865286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).