decane;sulfane;toluene

C17H32S — CID 157105742

IUPACdecane;sulfane;toluene
SMILESCCCCCCCCCC.Cc1ccccc1.S
InChIInChI=1S/C10H22.C7H8.H2S/c1-3-5-7-9-10-8-6-4-2;1-7-5-3-2-4-6-7;/h3-10H2,1-2H3;2-6H,1H3;1H2
InChIKeyRGPXFIZZDDEWGR-UHFFFAOYSA-N
MW268.51 g/mol
LogP6.25
Rot. Bonds7

About decane;sulfane;toluene

decane;sulfane;toluene (PubChem CID 157105742) has the molecular formula C17H32S and a molecular weight of 268.51 g/mol. Its IUPAC name is decane;sulfane;toluene.

Molecular Properties

Compound Namedecane;sulfane;toluene
PubChem CID157105742
Molecular FormulaC17H32S
Molecular Weight268.51 g/mol
Exact Mass268.22
IUPAC Namedecane;sulfane;toluene
SMILESCCCCCCCCCC.Cc1ccccc1.S
InChIInChI=1S/C10H22.C7H8.H2S/c1-3-5-7-9-10-8-6-4-2;1-7-5-3-2-4-6-7;/h3-10H2,1-2H3;2-6H,1H3;1H2
InChIKeyRGPXFIZZDDEWGR-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 decane;sulfane;toluene?
The IUPAC name of decane;sulfane;toluene (CID 157105742) is decane;sulfane;toluene.
What is the SMILES notation for decane;sulfane;toluene?
The canonical SMILES for decane;sulfane;toluene is CCCCCCCCCC.Cc1ccccc1.S.
What is the InChIKey of decane;sulfane;toluene?
The InChIKey is RGPXFIZZDDEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C7H8.H2S/c1-3-5-7-9-10-8-6-4-2;1-7-5-3-2-4-6-7;/h3-10H2,1-2H3;2-6H,1H3;1H2.
What are the key properties of decane;sulfane;toluene?
decane;sulfane;toluene has a molecular weight of 268.51 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decane;sulfane;toluene is sourced from PubChem (CID 157105742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).