(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone

C14H11ClOS2 — CID 102300317

IUPAC(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1SCS
InChIInChI=1S/C14H11ClOS2/c15-11-7-5-10(6-8-11)14(16)12-3-1-2-4-13(12)18-9-17/h1-8,17H,9H2
InChIKeyIBZOVVDKEISSHN-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.55
Rot. Bonds4

About (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone

(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone (PubChem CID 102300317) has the molecular formula C14H11ClOS2 and a molecular weight of 294.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
PubChem CID102300317
Molecular FormulaC14H11ClOS2
Molecular Weight294.83 g/mol
Exact Mass293.99
IUPAC Name(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1SCS
InChIInChI=1S/C14H11ClOS2/c15-11-7-5-10(6-8-11)14(16)12-3-1-2-4-13(12)18-9-17/h1-8,17H,9H2
InChIKeyIBZOVVDKEISSHN-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
CID 102300318
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 23909275
(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
CID 151592012
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380
(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone
CID 110168264
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone (CID 102300317) is (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccccc1SCS.
What is the InChIKey of (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
The InChIKey is IBZOVVDKEISSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS2/c15-11-7-5-10(6-8-11)14(16)12-3-1-2-4-13(12)18-9-17/h1-8,17H,9H2.
What are the key properties of (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone has a molecular weight of 294.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 102300317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).