(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone

C14H11ClOS — CID 19689380

IUPAC(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CS)cc1
InChIInChI=1S/C14H11ClOS/c15-13-7-5-12(6-8-13)14(16)11-3-1-10(9-17)2-4-11/h1-8,17H,9H2
InChIKeyLHFHXFHQMYBANN-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.00
Rot. Bonds3

About (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone

(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone (PubChem CID 19689380) has the molecular formula C14H11ClOS and a molecular weight of 262.76 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
PubChem CID19689380
Molecular FormulaC14H11ClOS
Molecular Weight262.76 g/mol
Exact Mass262.02
IUPAC Name(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CS)cc1
InChIInChI=1S/C14H11ClOS/c15-13-7-5-12(6-8-13)14(16)11-3-1-10(9-17)2-4-11/h1-8,17H,9H2
InChIKeyLHFHXFHQMYBANN-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.00
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

(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone
CID 54377224
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
[4-(2-amino-2-hydroxybutyl)phenyl]-(4-chlorophenyl)methanone
CID 22373683
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone
CID 143842918
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone (CID 19689380) is (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(CS)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone?
The InChIKey is LHFHXFHQMYBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS/c15-13-7-5-12(6-8-13)14(16)11-3-1-10(9-17)2-4-11/h1-8,17H,9H2.
What are the key properties of (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone?
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone has a molecular weight of 262.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 19689380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).