1-chloro-4-phenylsulfanyloxybenzene

C12H9ClOS — CID 150643936

IUPAC1-chloro-4-phenylsulfanyloxybenzene
SMILESClc1ccc(OSc2ccccc2)cc1
InChIInChI=1S/C12H9ClOS/c13-10-6-8-11(9-7-10)14-15-12-4-2-1-3-5-12/h1-9H
InChIKeyJAMDYCIPNKLDAC-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.43
Rot. Bonds3

About 1-chloro-4-phenylsulfanyloxybenzene

1-chloro-4-phenylsulfanyloxybenzene (PubChem CID 150643936) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 1-chloro-4-phenylsulfanyloxybenzene.

Molecular Properties

Compound Name1-chloro-4-phenylsulfanyloxybenzene
PubChem CID150643936
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name1-chloro-4-phenylsulfanyloxybenzene
SMILESClc1ccc(OSc2ccccc2)cc1
InChIInChI=1S/C12H9ClOS/c13-10-6-8-11(9-7-10)14-15-12-4-2-1-3-5-12/h1-9H
InChIKeyJAMDYCIPNKLDAC-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylsulfanyloxynaphthalene
CID 102594920
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
3-phenylsulfanyloxyaniline
CID 144787948
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513
benzene;chlorobenzene
CID 159657667
anisole;1,4-dichlorobenzene
CID 175517246
bis(4-chlorophenoxy)methyl-phenylsilane
CID 71441799
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769
chlorobenzene;phenoxybenzene
CID 66911253
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-phenylsulfanyloxybenzene?
The IUPAC name of 1-chloro-4-phenylsulfanyloxybenzene (CID 150643936) is 1-chloro-4-phenylsulfanyloxybenzene.
What is the SMILES notation for 1-chloro-4-phenylsulfanyloxybenzene?
The canonical SMILES for 1-chloro-4-phenylsulfanyloxybenzene is Clc1ccc(OSc2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-phenylsulfanyloxybenzene?
The InChIKey is JAMDYCIPNKLDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c13-10-6-8-11(9-7-10)14-15-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 1-chloro-4-phenylsulfanyloxybenzene?
1-chloro-4-phenylsulfanyloxybenzene has a molecular weight of 236.72 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-phenylsulfanyloxybenzene is sourced from PubChem (CID 150643936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).