[methoxy(phenylsulfanyl)methyl]sulfanylbenzene

C14H14OS2 — CID 11139937

IUPAC[methoxy(phenylsulfanyl)methyl]sulfanylbenzene
SMILESCOC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H14OS2/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyKBKPOHAPTOBPFY-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.50
Rot. Bonds5

About [methoxy(phenylsulfanyl)methyl]sulfanylbenzene

[methoxy(phenylsulfanyl)methyl]sulfanylbenzene (PubChem CID 11139937) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is [methoxy(phenylsulfanyl)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[methoxy(phenylsulfanyl)methyl]sulfanylbenzene
PubChem CID11139937
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name[methoxy(phenylsulfanyl)methyl]sulfanylbenzene
SMILESCOC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H14OS2/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyKBKPOHAPTOBPFY-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.50
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

Diphenyl sulfide
CID 8766
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
Tris(phenylthio)methane
CID 615706
((2-(Phenylthio)-1-cyclobuten-1-yl)thio)benzene
CID 332690
Dimethyl(phenyl)sulfonium
CID 425720
(E)-Phenyl-1-propenylsulfide
CID 5373102
1-S,2-S-diphenyl ethanebis(thioate)
CID 18471933
Benzene, 1,4-bis(methylthio)-
CID 136532
Benzene, 1,3-bis(methylthio)-
CID 137576
Phosphorodithioic acid, O,O-dimethyl S-((phenylthio)-methyl) ester
CID 87763
2-Phenylsulfanylethenylsulfanylbenzene
CID 585579

Frequently Asked Questions

What is the IUPAC name of [methoxy(phenylsulfanyl)methyl]sulfanylbenzene?
The IUPAC name of [methoxy(phenylsulfanyl)methyl]sulfanylbenzene (CID 11139937) is [methoxy(phenylsulfanyl)methyl]sulfanylbenzene.
What is the SMILES notation for [methoxy(phenylsulfanyl)methyl]sulfanylbenzene?
The canonical SMILES for [methoxy(phenylsulfanyl)methyl]sulfanylbenzene is COC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of [methoxy(phenylsulfanyl)methyl]sulfanylbenzene?
The InChIKey is KBKPOHAPTOBPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11,14H,1H3.
What are the key properties of [methoxy(phenylsulfanyl)methyl]sulfanylbenzene?
[methoxy(phenylsulfanyl)methyl]sulfanylbenzene has a molecular weight of 262.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenylsulfanyl)methyl]sulfanylbenzene is sourced from PubChem (CID 11139937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).