1-methylsulfanylacenaphthylene

C13H10S — CID 10910498

IUPAC1-methylsulfanylacenaphthylene
SMILESCSC1=Cc2cccc3cccc1c23
InChIInChI=1S/C13H10S/c1-14-12-8-10-6-2-4-9-5-3-7-11(12)13(9)10/h2-8H,1H3
InChIKeyNRYMJFFIZWFUPZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP4.01
Rot. Bonds1

About 1-methylsulfanylacenaphthylene

1-methylsulfanylacenaphthylene (PubChem CID 10910498) has the molecular formula C13H10S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methylsulfanylacenaphthylene.

Molecular Properties

Compound Name1-methylsulfanylacenaphthylene
PubChem CID10910498
Molecular FormulaC13H10S
Molecular Weight198.29 g/mol
Exact Mass198.05
IUPAC Name1-methylsulfanylacenaphthylene
SMILESCSC1=Cc2cccc3cccc1c23
InChIInChI=1S/C13H10S/c1-14-12-8-10-6-2-4-9-5-3-7-11(12)13(9)10/h2-8H,1H3
InChIKeyNRYMJFFIZWFUPZ-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylacenaphthylene?
The IUPAC name of 1-methylsulfanylacenaphthylene (CID 10910498) is 1-methylsulfanylacenaphthylene.
What is the SMILES notation for 1-methylsulfanylacenaphthylene?
The canonical SMILES for 1-methylsulfanylacenaphthylene is CSC1=Cc2cccc3cccc1c23.
What is the InChIKey of 1-methylsulfanylacenaphthylene?
The InChIKey is NRYMJFFIZWFUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S/c1-14-12-8-10-6-2-4-9-5-3-7-11(12)13(9)10/h2-8H,1H3.
What are the key properties of 1-methylsulfanylacenaphthylene?
1-methylsulfanylacenaphthylene has a molecular weight of 198.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylacenaphthylene is sourced from PubChem (CID 10910498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).