(1-phenyl-2-sulfinylethenyl)benzene

C14H10OS — CID 134893268

IUPAC(1-phenyl-2-sulfinylethenyl)benzene
SMILESO=S=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10OS/c15-16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyJLXWTJLRZQEWEX-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.73
Rot. Bonds2

About (1-phenyl-2-sulfinylethenyl)benzene

(1-phenyl-2-sulfinylethenyl)benzene (PubChem CID 134893268) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (1-phenyl-2-sulfinylethenyl)benzene.

Molecular Properties

Compound Name(1-phenyl-2-sulfinylethenyl)benzene
PubChem CID134893268
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name(1-phenyl-2-sulfinylethenyl)benzene
SMILESO=S=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10OS/c15-16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyJLXWTJLRZQEWEX-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
2,2-diphenylethenylidenetungsten
CID 11081645
benzoic acid;λ2-plumbane
CID 174927932
benzoic acid;methane;sulfur dioxide
CID 175143681
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
CID 101079672
CID 101079672
S-ethynyl benzenecarbothioate
CID 88520034
phenacyl
CID 11123355
2,4,4-triphenylbuta-2,3-dienal
CID 11982143
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-2-sulfinylethenyl)benzene?
The IUPAC name of (1-phenyl-2-sulfinylethenyl)benzene (CID 134893268) is (1-phenyl-2-sulfinylethenyl)benzene.
What is the SMILES notation for (1-phenyl-2-sulfinylethenyl)benzene?
The canonical SMILES for (1-phenyl-2-sulfinylethenyl)benzene is O=S=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-phenyl-2-sulfinylethenyl)benzene?
The InChIKey is JLXWTJLRZQEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c15-16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H.
What are the key properties of (1-phenyl-2-sulfinylethenyl)benzene?
(1-phenyl-2-sulfinylethenyl)benzene has a molecular weight of 226.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-2-sulfinylethenyl)benzene is sourced from PubChem (CID 134893268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).