1-phenylsulfanylethylsulfanylbenzene

C14H14S2 — CID 11053951

IUPAC1-phenylsulfanylethylsulfanylbenzene
SMILESCC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H14S2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRZMYXIQQKAKHHP-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.92
Rot. Bonds4

About 1-phenylsulfanylethylsulfanylbenzene

1-phenylsulfanylethylsulfanylbenzene (PubChem CID 11053951) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-phenylsulfanylethylsulfanylbenzene.

Molecular Properties

Compound Name1-phenylsulfanylethylsulfanylbenzene
PubChem CID11053951
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name1-phenylsulfanylethylsulfanylbenzene
SMILESCC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H14S2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRZMYXIQQKAKHHP-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.92
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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Related Compounds

Thioanisole
CID 7520
Diphenyl sulfide
CID 8766
Diphenyl sulfoxide
CID 13679
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Thianthrene
CID 7109
Phenyl propyl sulfide
CID 13407
Benzyl phenyl sulfide
CID 13255
Cyclopropyl phenyl sulfide
CID 123348
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylethylsulfanylbenzene?
The IUPAC name of 1-phenylsulfanylethylsulfanylbenzene (CID 11053951) is 1-phenylsulfanylethylsulfanylbenzene.
What is the SMILES notation for 1-phenylsulfanylethylsulfanylbenzene?
The canonical SMILES for 1-phenylsulfanylethylsulfanylbenzene is CC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 1-phenylsulfanylethylsulfanylbenzene?
The InChIKey is RZMYXIQQKAKHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 1-phenylsulfanylethylsulfanylbenzene?
1-phenylsulfanylethylsulfanylbenzene has a molecular weight of 246.40 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylethylsulfanylbenzene is sourced from PubChem (CID 11053951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).