1-methylsulfanylnonane

C10H22S — CID 524804

IUPAC1-methylsulfanylnonane
SMILESCCCCCCCCCSC
InChIInChI=1S/C10H22S/c1-3-4-5-6-7-8-9-10-11-2/h3-10H2,1-2H3
InChIKeyFCRSULZJMFDBIK-UHFFFAOYSA-N
MW174.35 g/mol
LogP4.10
Rot. Bonds8

About 1-methylsulfanylnonane

1-methylsulfanylnonane (PubChem CID 524804) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 1-methylsulfanylnonane.

Molecular Properties

Compound Name1-methylsulfanylnonane
PubChem CID524804
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name1-methylsulfanylnonane
SMILESCCCCCCCCCSC
InChIInChI=1S/C10H22S/c1-3-4-5-6-7-8-9-10-11-2/h3-10H2,1-2H3
InChIKeyFCRSULZJMFDBIK-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylnonane?
The IUPAC name of 1-methylsulfanylnonane (CID 524804) is 1-methylsulfanylnonane.
What is the SMILES notation for 1-methylsulfanylnonane?
The canonical SMILES for 1-methylsulfanylnonane is CCCCCCCCCSC.
What is the InChIKey of 1-methylsulfanylnonane?
The InChIKey is FCRSULZJMFDBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-3-4-5-6-7-8-9-10-11-2/h3-10H2,1-2H3.
What are the key properties of 1-methylsulfanylnonane?
1-methylsulfanylnonane has a molecular weight of 174.35 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylnonane is sourced from PubChem (CID 524804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).