1,5-bis(methylsulfanyl)naphthalene

C12H12S2 — CID 24906

IUPAC1,5-bis(methylsulfanyl)naphthalene
SMILESCSc1cccc2c(SC)cccc12
InChIInChI=1S/C12H12S2/c1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2/h3-8H,1-2H3
InChIKeyMAYVZUQEFSJDHA-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.28
Rot. Bonds2

About 1,5-bis(methylsulfanyl)naphthalene

1,5-bis(methylsulfanyl)naphthalene (PubChem CID 24906) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,5-bis(methylsulfanyl)naphthalene.

Molecular Properties

Compound Name1,5-bis(methylsulfanyl)naphthalene
PubChem CID24906
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Name1,5-bis(methylsulfanyl)naphthalene
SMILESCSc1cccc2c(SC)cccc12
InChIInChI=1S/C12H12S2/c1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2/h3-8H,1-2H3
InChIKeyMAYVZUQEFSJDHA-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(methylsulfanyl)naphthalene?
The IUPAC name of 1,5-bis(methylsulfanyl)naphthalene (CID 24906) is 1,5-bis(methylsulfanyl)naphthalene.
What is the SMILES notation for 1,5-bis(methylsulfanyl)naphthalene?
The canonical SMILES for 1,5-bis(methylsulfanyl)naphthalene is CSc1cccc2c(SC)cccc12.
What is the InChIKey of 1,5-bis(methylsulfanyl)naphthalene?
The InChIKey is MAYVZUQEFSJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S2/c1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2/h3-8H,1-2H3.
What are the key properties of 1,5-bis(methylsulfanyl)naphthalene?
1,5-bis(methylsulfanyl)naphthalene has a molecular weight of 220.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(methylsulfanyl)naphthalene is sourced from PubChem (CID 24906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).