1-(methylsulfanylmethyl)naphthalene

C12H12S — CID 7099152

IUPAC1-(methylsulfanylmethyl)naphthalene
SMILESCSCc1cccc2ccccc12
InChIInChI=1S/C12H12S/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyZADHGEMSHRQLEQ-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.70
Rot. Bonds2

About 1-(methylsulfanylmethyl)naphthalene

1-(methylsulfanylmethyl)naphthalene (PubChem CID 7099152) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)naphthalene.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)naphthalene
PubChem CID7099152
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name1-(methylsulfanylmethyl)naphthalene
SMILESCSCc1cccc2ccccc12
InChIInChI=1S/C12H12S/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyZADHGEMSHRQLEQ-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 1-(methylsulfanylmethyl)naphthalene?
The IUPAC name of 1-(methylsulfanylmethyl)naphthalene (CID 7099152) is 1-(methylsulfanylmethyl)naphthalene.
What is the SMILES notation for 1-(methylsulfanylmethyl)naphthalene?
The canonical SMILES for 1-(methylsulfanylmethyl)naphthalene is CSCc1cccc2ccccc12.
What is the InChIKey of 1-(methylsulfanylmethyl)naphthalene?
The InChIKey is ZADHGEMSHRQLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)naphthalene?
1-(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 1-(methylsulfanylmethyl)naphthalene is sourced from PubChem (CID 7099152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).