4,5-dichloro-7-methylsulfanyl-1-benzothiophene

C9H6Cl2S2 — CID 130825861

IUPAC4,5-dichloro-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Cl)c(Cl)c2ccsc12
InChIInChI=1S/C9H6Cl2S2/c1-12-7-4-6(10)8(11)5-2-3-13-9(5)7/h2-4H,1H3
InChIKeyDENBJJCNQIQRLQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP4.93
Rot. Bonds1

About 4,5-dichloro-7-methylsulfanyl-1-benzothiophene

4,5-dichloro-7-methylsulfanyl-1-benzothiophene (PubChem CID 130825861) has the molecular formula C9H6Cl2S2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4,5-dichloro-7-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name4,5-dichloro-7-methylsulfanyl-1-benzothiophene
PubChem CID130825861
Molecular FormulaC9H6Cl2S2
Molecular Weight249.19 g/mol
Exact Mass247.93
IUPAC Name4,5-dichloro-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Cl)c(Cl)c2ccsc12
InChIInChI=1S/C9H6Cl2S2/c1-12-7-4-6(10)8(11)5-2-3-13-9(5)7/h2-4H,1H3
InChIKeyDENBJJCNQIQRLQ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213
7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
CID 130970948
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
6-chloro-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131191503
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
CID 130926327
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326
4-bromo-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 130839750
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759
7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one
CID 119091655
6-iodo-4-methylsulfanyl-1-benzothiophene-7-thiol
CID 130821648
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-7-methylsulfanyl-1-benzothiophene?
The IUPAC name of 4,5-dichloro-7-methylsulfanyl-1-benzothiophene (CID 130825861) is 4,5-dichloro-7-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 4,5-dichloro-7-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 4,5-dichloro-7-methylsulfanyl-1-benzothiophene is CSc1cc(Cl)c(Cl)c2ccsc12.
What is the InChIKey of 4,5-dichloro-7-methylsulfanyl-1-benzothiophene?
The InChIKey is DENBJJCNQIQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2S2/c1-12-7-4-6(10)8(11)5-2-3-13-9(5)7/h2-4H,1H3.
What are the key properties of 4,5-dichloro-7-methylsulfanyl-1-benzothiophene?
4,5-dichloro-7-methylsulfanyl-1-benzothiophene has a molecular weight of 249.19 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-7-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130825861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).