1,3-dichloro-2-benzothiophene

C8H4Cl2S — CID 15074614

IUPAC1,3-dichloro-2-benzothiophene
SMILESClc1sc(Cl)c2ccccc12
InChIInChI=1S/C8H4Cl2S/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChIKeyWLWOLJZSKYXOOQ-UHFFFAOYSA-N
MW203.09 g/mol
LogP4.21
Rot. Bonds

About 1,3-dichloro-2-benzothiophene

1,3-dichloro-2-benzothiophene (PubChem CID 15074614) has the molecular formula C8H4Cl2S and a molecular weight of 203.09 g/mol. Its IUPAC name is 1,3-dichloro-2-benzothiophene.

Molecular Properties

Compound Name1,3-dichloro-2-benzothiophene
PubChem CID15074614
Molecular FormulaC8H4Cl2S
Molecular Weight203.09 g/mol
Exact Mass201.94
IUPAC Name1,3-dichloro-2-benzothiophene
SMILESClc1sc(Cl)c2ccccc12
InChIInChI=1S/C8H4Cl2S/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChIKeyWLWOLJZSKYXOOQ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-benzothiophene?
The IUPAC name of 1,3-dichloro-2-benzothiophene (CID 15074614) is 1,3-dichloro-2-benzothiophene.
What is the SMILES notation for 1,3-dichloro-2-benzothiophene?
The canonical SMILES for 1,3-dichloro-2-benzothiophene is Clc1sc(Cl)c2ccccc12.
What is the InChIKey of 1,3-dichloro-2-benzothiophene?
The InChIKey is WLWOLJZSKYXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2S/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H.
What are the key properties of 1,3-dichloro-2-benzothiophene?
1,3-dichloro-2-benzothiophene has a molecular weight of 203.09 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-benzothiophene is sourced from PubChem (CID 15074614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).