1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene

C12H10Cl2OS — CID 166952071

IUPAC1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene
SMILESCSOCc1ccc2c(Cl)c(Cl)ccc2c1
InChIInChI=1S/C12H10Cl2OS/c1-16-15-7-8-2-4-10-9(6-8)3-5-11(13)12(10)14/h2-6H,7H2,1H3
InChIKeyZXOFPFYOBYRIIF-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.94
Rot. Bonds3

About 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene

1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene (PubChem CID 166952071) has the molecular formula C12H10Cl2OS and a molecular weight of 273.18 g/mol. Its IUPAC name is 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene.

Molecular Properties

Compound Name1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene
PubChem CID166952071
Molecular FormulaC12H10Cl2OS
Molecular Weight273.18 g/mol
Exact Mass271.98
IUPAC Name1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene
SMILESCSOCc1ccc2c(Cl)c(Cl)ccc2c1
InChIInChI=1S/C12H10Cl2OS/c1-16-15-7-8-2-4-10-9(6-8)3-5-11(13)12(10)14/h2-6H,7H2,1H3
InChIKeyZXOFPFYOBYRIIF-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene?
The IUPAC name of 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene (CID 166952071) is 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene.
What is the SMILES notation for 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene?
The canonical SMILES for 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene is CSOCc1ccc2c(Cl)c(Cl)ccc2c1.
What is the InChIKey of 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene?
The InChIKey is ZXOFPFYOBYRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2OS/c1-16-15-7-8-2-4-10-9(6-8)3-5-11(13)12(10)14/h2-6H,7H2,1H3.
What are the key properties of 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene?
1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene has a molecular weight of 273.18 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene is sourced from PubChem (CID 166952071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).