6-chloro-1-methylsulfanylnaphthalene

C11H9ClS — CID 175558394

IUPAC6-chloro-1-methylsulfanylnaphthalene
SMILESCSc1cccc2cc(Cl)ccc12
InChIInChI=1S/C11H9ClS/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-7H,1H3
InChIKeyRJDKFPKDQANCOX-UHFFFAOYSA-N
MW208.71 g/mol
LogP4.22
Rot. Bonds1

About 6-chloro-1-methylsulfanylnaphthalene

6-chloro-1-methylsulfanylnaphthalene (PubChem CID 175558394) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 6-chloro-1-methylsulfanylnaphthalene.

Molecular Properties

Compound Name6-chloro-1-methylsulfanylnaphthalene
PubChem CID175558394
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name6-chloro-1-methylsulfanylnaphthalene
SMILESCSc1cccc2cc(Cl)ccc12
InChIInChI=1S/C11H9ClS/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-7H,1H3
InChIKeyRJDKFPKDQANCOX-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylsulfanylnaphthalene?
The IUPAC name of 6-chloro-1-methylsulfanylnaphthalene (CID 175558394) is 6-chloro-1-methylsulfanylnaphthalene.
What is the SMILES notation for 6-chloro-1-methylsulfanylnaphthalene?
The canonical SMILES for 6-chloro-1-methylsulfanylnaphthalene is CSc1cccc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-methylsulfanylnaphthalene?
The InChIKey is RJDKFPKDQANCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-7H,1H3.
What are the key properties of 6-chloro-1-methylsulfanylnaphthalene?
6-chloro-1-methylsulfanylnaphthalene has a molecular weight of 208.71 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylsulfanylnaphthalene is sourced from PubChem (CID 175558394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).