1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone

C20H16OS2 — CID 175876959

IUPAC1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc(S)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H16OS2/c21-20(17-4-2-1-3-5-17)14-23-19-12-8-16(9-13-19)15-6-10-18(22)11-7-15/h1-13,22H,14H2
InChIKeySBKWHZWPEKEYPF-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.62
Rot. Bonds5

About 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone

1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone (PubChem CID 175876959) has the molecular formula C20H16OS2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone
PubChem CID175876959
Molecular FormulaC20H16OS2
Molecular Weight336.48 g/mol
Exact Mass336.06
IUPAC Name1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc(S)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H16OS2/c21-20(17-4-2-1-3-5-17)14-23-19-12-8-16(9-13-19)15-6-10-18(22)11-7-15/h1-13,22H,14H2
InChIKeySBKWHZWPEKEYPF-UHFFFAOYSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-phenacylsulfanylphenyl)benzenesulfonamide
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1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-[4-(4-phenylbenzoyl)phenyl]sulfanylacetyl chloride
CID 175289176
phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone
CID 175488031
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
2-ethylsulfanyl-1-phenylethanone
CID 2776060
1-(4-iodophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43218764
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
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CID 43218398

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone?
The IUPAC name of 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone (CID 175876959) is 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone.
What is the SMILES notation for 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone?
The canonical SMILES for 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone is O=C(CSc1ccc(-c2ccc(S)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone?
The InChIKey is SBKWHZWPEKEYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16OS2/c21-20(17-4-2-1-3-5-17)14-23-19-12-8-16(9-13-19)15-6-10-18(22)11-7-15/h1-13,22H,14H2.
What are the key properties of 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone?
1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone has a molecular weight of 336.48 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone is sourced from PubChem (CID 175876959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).