2,6-dichloro-3-methylsulfanyl-1-benzothiophene

C9H6Cl2S2 — CID 131223527

IUPAC2,6-dichloro-3-methylsulfanyl-1-benzothiophene
SMILESCSc1c(Cl)sc2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2S2/c1-12-8-6-3-2-5(10)4-7(6)13-9(8)11/h2-4H,1H3
InChIKeyOMYNCYLUCLTPPV-UHFFFAOYSA-N
MW249.19 g/mol
LogP4.93
Rot. Bonds1

About 2,6-dichloro-3-methylsulfanyl-1-benzothiophene

2,6-dichloro-3-methylsulfanyl-1-benzothiophene (PubChem CID 131223527) has the molecular formula C9H6Cl2S2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2,6-dichloro-3-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2,6-dichloro-3-methylsulfanyl-1-benzothiophene
PubChem CID131223527
Molecular FormulaC9H6Cl2S2
Molecular Weight249.19 g/mol
Exact Mass247.93
IUPAC Name2,6-dichloro-3-methylsulfanyl-1-benzothiophene
SMILESCSc1c(Cl)sc2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2S2/c1-12-8-6-3-2-5(10)4-7(6)13-9(8)11/h2-4H,1H3
InChIKeyOMYNCYLUCLTPPV-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

2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
6-chloro-2-fluoro-3-methoxy-1-benzothiophene
CID 130792276
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277
(3,6-dichloro-1-benzothiophen-2-yl)methanamine
CID 82363899
6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene
CID 130854586
3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
6-chloro-3-methoxy-1-benzothiophene-2-thiol
CID 130870490
7-chloro-2,4-difluorodibenzothiophene
CID 156704591
3-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
CID 974834
6-iodo-3-methylsulfanyl-1-benzothiophen-2-amine
CID 130988040
2-bromo-3-methylsulfanyl-1-benzothiophen-6-amine
CID 131080327

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2,6-dichloro-3-methylsulfanyl-1-benzothiophene (CID 131223527) is 2,6-dichloro-3-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2,6-dichloro-3-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2,6-dichloro-3-methylsulfanyl-1-benzothiophene is CSc1c(Cl)sc2cc(Cl)ccc12.
What is the InChIKey of 2,6-dichloro-3-methylsulfanyl-1-benzothiophene?
The InChIKey is OMYNCYLUCLTPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2S2/c1-12-8-6-3-2-5(10)4-7(6)13-9(8)11/h2-4H,1H3.
What are the key properties of 2,6-dichloro-3-methylsulfanyl-1-benzothiophene?
2,6-dichloro-3-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 2,6-dichloro-3-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131223527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).