2-(methylsulfanylmethyl)naphthalene

C12H12S — CID 3428135

IUPAC2-(methylsulfanylmethyl)naphthalene
SMILESCSCc1ccc2ccccc2c1
InChIInChI=1S/C12H12S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKeyCJDCACAMTBETRY-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.70
Rot. Bonds2

About 2-(methylsulfanylmethyl)naphthalene

2-(methylsulfanylmethyl)naphthalene (PubChem CID 3428135) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)naphthalene.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)naphthalene
PubChem CID3428135
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name2-(methylsulfanylmethyl)naphthalene
SMILESCSCc1ccc2ccccc2c1
InChIInChI=1S/C12H12S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKeyCJDCACAMTBETRY-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)naphthalene?
The IUPAC name of 2-(methylsulfanylmethyl)naphthalene (CID 3428135) is 2-(methylsulfanylmethyl)naphthalene.
What is the SMILES notation for 2-(methylsulfanylmethyl)naphthalene?
The canonical SMILES for 2-(methylsulfanylmethyl)naphthalene is CSCc1ccc2ccccc2c1.
What is the InChIKey of 2-(methylsulfanylmethyl)naphthalene?
The InChIKey is CJDCACAMTBETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)naphthalene?
2-(methylsulfanylmethyl)naphthalene has a molecular weight of 188.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)naphthalene is sourced from PubChem (CID 3428135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).