1-phenyl-2-sulfanyloxysulfanylbenzene

C12H10OS2 — CID 87434752

IUPAC1-phenyl-2-sulfanyloxysulfanylbenzene
SMILESSOSc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10OS2/c14-13-15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14H
InChIKeyHOBRGVXUVJREGF-UHFFFAOYSA-N
MW234.35 g/mol
LogP4.22
Rot. Bonds3

About 1-phenyl-2-sulfanyloxysulfanylbenzene

1-phenyl-2-sulfanyloxysulfanylbenzene (PubChem CID 87434752) has the molecular formula C12H10OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-phenyl-2-sulfanyloxysulfanylbenzene.

Molecular Properties

Compound Name1-phenyl-2-sulfanyloxysulfanylbenzene
PubChem CID87434752
Molecular FormulaC12H10OS2
Molecular Weight234.35 g/mol
Exact Mass234.02
IUPAC Name1-phenyl-2-sulfanyloxysulfanylbenzene
SMILESSOSc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10OS2/c14-13-15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14H
InChIKeyHOBRGVXUVJREGF-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1,1'-Biphenyl)-4,4'-disulfonic acid
CID 79202
Bis(2-methylphenyl) disulfide
CID 77652
Benzenethiol, 2-(1-methylethyl)-
CID 96003
2-Phenylbenzene-1-sulfonamide
CID 12371520
4,4'-Thiobiphenyl
CID 81399
4-Phenylbenzene-1-thiol
CID 2760414
2-Tert-butylthiophenol
CID 2795032
Biphenyl-2-sulfinic acid
CID 9543498
(1,1'-Biphenyl)-4-sulfonic acid, sodium salt (1:1)
CID 23691994
2-Phenylbenzene-1-sulfonyl chloride
CID 2756680
2-Phenylthiophenol
CID 2760413
4,4'-Biphenyldisulfonic acid disodium salt
CID 6096964

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-sulfanyloxysulfanylbenzene?
The IUPAC name of 1-phenyl-2-sulfanyloxysulfanylbenzene (CID 87434752) is 1-phenyl-2-sulfanyloxysulfanylbenzene.
What is the SMILES notation for 1-phenyl-2-sulfanyloxysulfanylbenzene?
The canonical SMILES for 1-phenyl-2-sulfanyloxysulfanylbenzene is SOSc1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-sulfanyloxysulfanylbenzene?
The InChIKey is HOBRGVXUVJREGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS2/c14-13-15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 1-phenyl-2-sulfanyloxysulfanylbenzene?
1-phenyl-2-sulfanyloxysulfanylbenzene has a molecular weight of 234.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-sulfanyloxysulfanylbenzene is sourced from PubChem (CID 87434752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).