2,2-bis(phenylsulfanyl)oxane

C17H18OS2 — CID 14100930

IUPAC2,2-bis(phenylsulfanyl)oxane
SMILESc1ccc(SC2(Sc3ccccc3)CCCCO2)cc1
InChIInChI=1S/C17H18OS2/c1-3-9-15(10-4-1)19-17(13-7-8-14-18-17)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyYKSCLHGDEGZWSS-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.43
Rot. Bonds4

About 2,2-bis(phenylsulfanyl)oxane

2,2-bis(phenylsulfanyl)oxane (PubChem CID 14100930) has the molecular formula C17H18OS2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,2-bis(phenylsulfanyl)oxane.

Molecular Properties

Compound Name2,2-bis(phenylsulfanyl)oxane
PubChem CID14100930
Molecular FormulaC17H18OS2
Molecular Weight302.46 g/mol
Exact Mass302.08
IUPAC Name2,2-bis(phenylsulfanyl)oxane
SMILESc1ccc(SC2(Sc3ccccc3)CCCCO2)cc1
InChIInChI=1S/C17H18OS2/c1-3-9-15(10-4-1)19-17(13-7-8-14-18-17)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyYKSCLHGDEGZWSS-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[2-(2-methylsilyloxan-2-yl)oxan-2-yl]silane
CID 173234932
(2-phenyloxan-2-yl)silane
CID 123975784
2-(1-phenylsulfanylcycloheptyl)benzotriazole
CID 3803460
2-phenylsulfanylspiro[3.5]nonane-2-carboxylic acid
CID 65142377
2,2-bis(phenylsulfanyl)cyclohexan-1-one
CID 15577924
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
2-phenylsulfanyl-1-oxaspiro[2.5]octane
CID 15576573
phenyl-(2-silyloxan-2-yl)oxysilane
CID 173035273
N,N-diphenyl-2-silyloxan-2-amine;iron
CID 173315730
(2-benzyloxan-2-yl)silane
CID 123186626
4-phenylsulfanyloxane-4-carbaldehyde
CID 23238585
2-N,2-N'-bis(benzylideneamino)oxane-2,2-diamine
CID 87242135

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylsulfanyl)oxane?
The IUPAC name of 2,2-bis(phenylsulfanyl)oxane (CID 14100930) is 2,2-bis(phenylsulfanyl)oxane.
What is the SMILES notation for 2,2-bis(phenylsulfanyl)oxane?
The canonical SMILES for 2,2-bis(phenylsulfanyl)oxane is c1ccc(SC2(Sc3ccccc3)CCCCO2)cc1.
What is the InChIKey of 2,2-bis(phenylsulfanyl)oxane?
The InChIKey is YKSCLHGDEGZWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS2/c1-3-9-15(10-4-1)19-17(13-7-8-14-18-17)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 2,2-bis(phenylsulfanyl)oxane?
2,2-bis(phenylsulfanyl)oxane has a molecular weight of 302.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phenylsulfanyl)oxane is sourced from PubChem (CID 14100930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).