ethane;phenylsulfanylmethylsulfanylbenzene

C17H24S2 — CID 158144370

IUPACethane;phenylsulfanylmethylsulfanylbenzene
SMILESCC.CC.c1ccc(SCSc2ccccc2)cc1
InChIInChI=1S/C13H12S2.2C2H6/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-2/h1-10H,11H2;2*1-2H3
InChIKeyFUIIWGZPNPYQFI-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.58
Rot. Bonds4

About ethane;phenylsulfanylmethylsulfanylbenzene

ethane;phenylsulfanylmethylsulfanylbenzene (PubChem CID 158144370) has the molecular formula C17H24S2 and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;phenylsulfanylmethylsulfanylbenzene.

Molecular Properties

Compound Nameethane;phenylsulfanylmethylsulfanylbenzene
PubChem CID158144370
Molecular FormulaC17H24S2
Molecular Weight292.51 g/mol
Exact Mass292.13
IUPAC Nameethane;phenylsulfanylmethylsulfanylbenzene
SMILESCC.CC.c1ccc(SCSc2ccccc2)cc1
InChIInChI=1S/C13H12S2.2C2H6/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-2/h1-10H,11H2;2*1-2H3
InChIKeyFUIIWGZPNPYQFI-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;phenylsulfanylmethylsulfanylbenzene?
The IUPAC name of ethane;phenylsulfanylmethylsulfanylbenzene (CID 158144370) is ethane;phenylsulfanylmethylsulfanylbenzene.
What is the SMILES notation for ethane;phenylsulfanylmethylsulfanylbenzene?
The canonical SMILES for ethane;phenylsulfanylmethylsulfanylbenzene is CC.CC.c1ccc(SCSc2ccccc2)cc1.
What is the InChIKey of ethane;phenylsulfanylmethylsulfanylbenzene?
The InChIKey is FUIIWGZPNPYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S2.2C2H6/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-2/h1-10H,11H2;2*1-2H3.
What are the key properties of ethane;phenylsulfanylmethylsulfanylbenzene?
ethane;phenylsulfanylmethylsulfanylbenzene has a molecular weight of 292.51 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenylsulfanylmethylsulfanylbenzene is sourced from PubChem (CID 158144370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).