8-methyl-1,3-bis(methylsulfanyl)nonane

C12H26S2 — CID 167189512

IUPAC8-methyl-1,3-bis(methylsulfanyl)nonane
SMILESCSCCC(CCCCC(C)C)SC
InChIInChI=1S/C12H26S2/c1-11(2)7-5-6-8-12(14-4)9-10-13-3/h11-12H,5-10H2,1-4H3
InChIKeyBQAXPLBXJYBXRH-UHFFFAOYSA-N
MW234.47 g/mol
LogP4.69
Rot. Bonds9

About 8-methyl-1,3-bis(methylsulfanyl)nonane

8-methyl-1,3-bis(methylsulfanyl)nonane (PubChem CID 167189512) has the molecular formula C12H26S2 and a molecular weight of 234.47 g/mol. Its IUPAC name is 8-methyl-1,3-bis(methylsulfanyl)nonane.

Molecular Properties

Compound Name8-methyl-1,3-bis(methylsulfanyl)nonane
PubChem CID167189512
Molecular FormulaC12H26S2
Molecular Weight234.47 g/mol
Exact Mass234.15
IUPAC Name8-methyl-1,3-bis(methylsulfanyl)nonane
SMILESCSCCC(CCCCC(C)C)SC
InChIInChI=1S/C12H26S2/c1-11(2)7-5-6-8-12(14-4)9-10-13-3/h11-12H,5-10H2,1-4H3
InChIKeyBQAXPLBXJYBXRH-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-methyl-1,3-bis(methylsulfanyl)nonane?
The IUPAC name of 8-methyl-1,3-bis(methylsulfanyl)nonane (CID 167189512) is 8-methyl-1,3-bis(methylsulfanyl)nonane.
What is the SMILES notation for 8-methyl-1,3-bis(methylsulfanyl)nonane?
The canonical SMILES for 8-methyl-1,3-bis(methylsulfanyl)nonane is CSCCC(CCCCC(C)C)SC.
What is the InChIKey of 8-methyl-1,3-bis(methylsulfanyl)nonane?
The InChIKey is BQAXPLBXJYBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S2/c1-11(2)7-5-6-8-12(14-4)9-10-13-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 8-methyl-1,3-bis(methylsulfanyl)nonane?
8-methyl-1,3-bis(methylsulfanyl)nonane has a molecular weight of 234.47 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3-bis(methylsulfanyl)nonane is sourced from PubChem (CID 167189512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).