4,7-dichloro-3-methyl-1-benzothiophene

C9H6Cl2S — CID 91881908

IUPAC4,7-dichloro-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C9H6Cl2S/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyFJCNOAAHCCPURI-UHFFFAOYSA-N
MW217.12 g/mol
LogP4.52
Rot. Bonds

About 4,7-dichloro-3-methyl-1-benzothiophene

4,7-dichloro-3-methyl-1-benzothiophene (PubChem CID 91881908) has the molecular formula C9H6Cl2S and a molecular weight of 217.12 g/mol. Its IUPAC name is 4,7-dichloro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name4,7-dichloro-3-methyl-1-benzothiophene
PubChem CID91881908
Molecular FormulaC9H6Cl2S
Molecular Weight217.12 g/mol
Exact Mass215.96
IUPAC Name4,7-dichloro-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C9H6Cl2S/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyFJCNOAAHCCPURI-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(bromomethyl)-4,7-dichloro-1-benzothiophene
CID 91881957
4-iodo-3,7-dimethyl-1-benzothiophene
CID 131029346
7-chloro-4-(chloromethyl)-3-methylsulfanyl-1-benzothiophene
CID 131030878
3-(bromomethyl)-7-chloro-1-benzothiophen-4-amine
CID 91881962
7-bromo-4-chloro-1-benzothiophene-3-thiol
CID 130971751
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
5,7-dichloro-4-methyl-1-benzothiophen-3-ol
CID 20574805
4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 107050195
5-fluoro-3-methylthieno[3,2-b]thiophene
CID 129149047
11-chloro-6-methyl-2,5λ6-dithia-6-azatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene 5,5-dioxide
CID 22662722
2-chloro-3,6-dimethylthieno[3,2-b]furan
CID 129149034
7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
CID 23543580

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-methyl-1-benzothiophene?
The IUPAC name of 4,7-dichloro-3-methyl-1-benzothiophene (CID 91881908) is 4,7-dichloro-3-methyl-1-benzothiophene.
What is the SMILES notation for 4,7-dichloro-3-methyl-1-benzothiophene?
The canonical SMILES for 4,7-dichloro-3-methyl-1-benzothiophene is Cc1csc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 4,7-dichloro-3-methyl-1-benzothiophene?
The InChIKey is FJCNOAAHCCPURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2S/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3.
What are the key properties of 4,7-dichloro-3-methyl-1-benzothiophene?
4,7-dichloro-3-methyl-1-benzothiophene has a molecular weight of 217.12 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-methyl-1-benzothiophene is sourced from PubChem (CID 91881908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).