(Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene

C12H24OS2 — CID 11288124

IUPAC(Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene
SMILESCCCCCCCC/C=C(/SC)S(C)=O
InChIInChI=1S/C12H24OS2/c1-4-5-6-7-8-9-10-11-12(14-2)15(3)13/h11H,4-10H2,1-3H3/b12-11-
InChIKeyNOJDYPLKAIZAJZ-QXMHVHEDSA-N
MW248.46 g/mol
LogP4.32
Rot. Bonds9

About (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene

(Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene (PubChem CID 11288124) has the molecular formula C12H24OS2 and a molecular weight of 248.46 g/mol. Its IUPAC name is (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene.

Molecular Properties

Compound Name(Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene
PubChem CID11288124
Molecular FormulaC12H24OS2
Molecular Weight248.46 g/mol
Exact Mass248.13
IUPAC Name(Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene
SMILESCCCCCCCC/C=C(/SC)S(C)=O
InChIInChI=1S/C12H24OS2/c1-4-5-6-7-8-9-10-11-12(14-2)15(3)13/h11H,4-10H2,1-3H3/b12-11-
InChIKeyNOJDYPLKAIZAJZ-QXMHVHEDSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 54.32
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 (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene?
The IUPAC name of (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene (CID 11288124) is (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene.
What is the SMILES notation for (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene?
The canonical SMILES for (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene is CCCCCCCC/C=C(/SC)S(C)=O.
What is the InChIKey of (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene?
The InChIKey is NOJDYPLKAIZAJZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H24OS2/c1-4-5-6-7-8-9-10-11-12(14-2)15(3)13/h11H,4-10H2,1-3H3/b12-11-.
What are the key properties of (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene?
(Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene has a molecular weight of 248.46 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methylsulfanyl-1-methylsulfinyldec-1-ene is sourced from PubChem (CID 11288124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).