(phenyldisulfanyl)benzene

C12H10S2 — CID 13436

IUPAC(phenyldisulfanyl)benzene
SMILESc1ccc(SSc2ccccc2)cc1
InChIInChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKeyGUUVPOWQJOLRAS-UHFFFAOYSA-N
MW218.35 g/mol
LogP4.49
Rot. Bonds3

About (phenyldisulfanyl)benzene

(phenyldisulfanyl)benzene (PubChem CID 13436) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is (phenyldisulfanyl)benzene.

Molecular Properties

Compound Name(phenyldisulfanyl)benzene
PubChem CID13436
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name(phenyldisulfanyl)benzene
SMILESc1ccc(SSc2ccccc2)cc1
InChIInChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKeyGUUVPOWQJOLRAS-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

Thiophenol
CID 7969
Diphenyl sulfide
CID 8766
Methyl phenyl disulfide
CID 84234
Sodium benzenethiolate
CID 4110039
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
S-Phenyl benzenethiosulphonate
CID 71031
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
Bis(phenylsulfonyl) Sulfide
CID 257516
4,4'-Thiobisbenzenethiol
CID 619483
Diphenyl disulfone
CID 139145
Disulfide, ethyl phenyl
CID 257711
2-Iodophenyl disulfide
CID 385952

Frequently Asked Questions

What is the IUPAC name of (phenyldisulfanyl)benzene?
The IUPAC name of (phenyldisulfanyl)benzene (CID 13436) is (phenyldisulfanyl)benzene.
What is the SMILES notation for (phenyldisulfanyl)benzene?
The canonical SMILES for (phenyldisulfanyl)benzene is c1ccc(SSc2ccccc2)cc1.
What is the InChIKey of (phenyldisulfanyl)benzene?
The InChIKey is GUUVPOWQJOLRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H.
What are the key properties of (phenyldisulfanyl)benzene?
(phenyldisulfanyl)benzene has a molecular weight of 218.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (phenyldisulfanyl)benzene is sourced from PubChem (CID 13436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).