(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone

C13H8Cl2OS — CID 139700416

IUPAC(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1S)c1ccccc1Cl
InChIInChI=1S/C13H8Cl2OS/c14-8-5-6-12(17)10(7-8)13(16)9-3-1-2-4-11(9)15/h1-7,17H
InChIKeyNCJBIXFKPZTJNC-UHFFFAOYSA-N
MW283.18 g/mol
LogP4.51
Rot. Bonds2

About (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone

(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone (PubChem CID 139700416) has the molecular formula C13H8Cl2OS and a molecular weight of 283.18 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
PubChem CID139700416
Molecular FormulaC13H8Cl2OS
Molecular Weight283.18 g/mol
Exact Mass281.97
IUPAC Name(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1S)c1ccccc1Cl
InChIInChI=1S/C13H8Cl2OS/c14-8-5-6-12(17)10(7-8)13(16)9-3-1-2-4-11(9)15/h1-7,17H
InChIKeyNCJBIXFKPZTJNC-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(5-chloro-2-isocyanatophenyl)-(2-chlorophenyl)methanone
CID 169352086
4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate
CID 175554622
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
5-chloro-N-methyl-2-sulfanylbenzamide
CID 123328239
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(2-sulfanylphenyl)methanone
CID 108547390
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone (CID 139700416) is (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone is O=C(c1cc(Cl)ccc1S)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone?
The InChIKey is NCJBIXFKPZTJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2OS/c14-8-5-6-12(17)10(7-8)13(16)9-3-1-2-4-11(9)15/h1-7,17H.
What are the key properties of (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone?
(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone has a molecular weight of 283.18 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone is sourced from PubChem (CID 139700416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).