1,4-bis(methylsulfanylmethyl)naphthalene

C14H16S2 — CID 608463

IUPAC1,4-bis(methylsulfanylmethyl)naphthalene
SMILESCSCc1ccc(CSC)c2ccccc12
InChIInChI=1S/C14H16S2/c1-15-9-11-7-8-12(10-16-2)14-6-4-3-5-13(11)14/h3-8H,9-10H2,1-2H3
InChIKeyPOHPIKIKNZXVKL-UHFFFAOYSA-N
MW248.42 g/mol
LogP4.57
Rot. Bonds4

About 1,4-bis(methylsulfanylmethyl)naphthalene

1,4-bis(methylsulfanylmethyl)naphthalene (PubChem CID 608463) has the molecular formula C14H16S2 and a molecular weight of 248.42 g/mol. Its IUPAC name is 1,4-bis(methylsulfanylmethyl)naphthalene.

Molecular Properties

Compound Name1,4-bis(methylsulfanylmethyl)naphthalene
PubChem CID608463
Molecular FormulaC14H16S2
Molecular Weight248.42 g/mol
Exact Mass248.07
IUPAC Name1,4-bis(methylsulfanylmethyl)naphthalene
SMILESCSCc1ccc(CSC)c2ccccc12
InChIInChI=1S/C14H16S2/c1-15-9-11-7-8-12(10-16-2)14-6-4-3-5-13(11)14/h3-8H,9-10H2,1-2H3
InChIKeyPOHPIKIKNZXVKL-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methylsulfanylmethyl)naphthalene?
The IUPAC name of 1,4-bis(methylsulfanylmethyl)naphthalene (CID 608463) is 1,4-bis(methylsulfanylmethyl)naphthalene.
What is the SMILES notation for 1,4-bis(methylsulfanylmethyl)naphthalene?
The canonical SMILES for 1,4-bis(methylsulfanylmethyl)naphthalene is CSCc1ccc(CSC)c2ccccc12.
What is the InChIKey of 1,4-bis(methylsulfanylmethyl)naphthalene?
The InChIKey is POHPIKIKNZXVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S2/c1-15-9-11-7-8-12(10-16-2)14-6-4-3-5-13(11)14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1,4-bis(methylsulfanylmethyl)naphthalene?
1,4-bis(methylsulfanylmethyl)naphthalene has a molecular weight of 248.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methylsulfanylmethyl)naphthalene is sourced from PubChem (CID 608463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).