2-phenylsulfanylethenylsulfanylbenzene

C14H12S2 — CID 585579

IUPAC2-phenylsulfanylethenylsulfanylbenzene
SMILESC(=CSc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H
InChIKeyUHGSEDVQATYWGI-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.04
Rot. Bonds4

About 2-phenylsulfanylethenylsulfanylbenzene

2-phenylsulfanylethenylsulfanylbenzene (PubChem CID 585579) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-phenylsulfanylethenylsulfanylbenzene.

Molecular Properties

Compound Name2-phenylsulfanylethenylsulfanylbenzene
PubChem CID585579
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name2-phenylsulfanylethenylsulfanylbenzene
SMILESC(=CSc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H
InChIKeyUHGSEDVQATYWGI-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl disulfide
CID 13436
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
Bis(phenylsulfonyl)methane
CID 76948
Thianthrene
CID 7109
Phenyl propyl sulfide
CID 13407
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylethenylsulfanylbenzene?
The IUPAC name of 2-phenylsulfanylethenylsulfanylbenzene (CID 585579) is 2-phenylsulfanylethenylsulfanylbenzene.
What is the SMILES notation for 2-phenylsulfanylethenylsulfanylbenzene?
The canonical SMILES for 2-phenylsulfanylethenylsulfanylbenzene is C(=CSc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylethenylsulfanylbenzene?
The InChIKey is UHGSEDVQATYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-phenylsulfanylethenylsulfanylbenzene?
2-phenylsulfanylethenylsulfanylbenzene has a molecular weight of 244.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylethenylsulfanylbenzene is sourced from PubChem (CID 585579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).