chloro(phenyl)sulfanium

C6H6ClS+ — CID 154256106

IUPACchloro(phenyl)sulfanium
SMILESCl[SH+]c1ccccc1
InChIInChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyJWUKZUIGOJBEPC-UHFFFAOYSA-O
MW145.63 g/mol
LogP2.01
Rot. Bonds1

About chloro(phenyl)sulfanium

chloro(phenyl)sulfanium (PubChem CID 154256106) has the molecular formula C6H6ClS+ and a molecular weight of 145.63 g/mol. Its IUPAC name is chloro(phenyl)sulfanium.

Molecular Properties

Compound Namechloro(phenyl)sulfanium
PubChem CID154256106
Molecular FormulaC6H6ClS+
Molecular Weight145.63 g/mol
Exact Mass144.99
IUPAC Namechloro(phenyl)sulfanium
SMILESCl[SH+]c1ccccc1
InChIInChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyJWUKZUIGOJBEPC-UHFFFAOYSA-O
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Thiophenol
CID 7969
Benzenesulfonyl chloride
CID 7369
Methyl phenyl disulfide
CID 84234
Sodium benzenethiolate
CID 4110039
1,2-Benzenedithiol
CID 69370
4-Fluorothiophenol
CID 67789
Chloromethyl phenyl sulphide
CID 81623
1,3-Benzenedithiol
CID 522062
1,4-Benzenedithiol
CID 4691729
3,4-Difluorobenzenethiol
CID 2778378
Phosphorodichloridothious acid, phenyl ester
CID 61759
Benzenesulfenyl chloride
CID 11008040

Frequently Asked Questions

What is the IUPAC name of chloro(phenyl)sulfanium?
The IUPAC name of chloro(phenyl)sulfanium (CID 154256106) is chloro(phenyl)sulfanium.
What is the SMILES notation for chloro(phenyl)sulfanium?
The canonical SMILES for chloro(phenyl)sulfanium is Cl[SH+]c1ccccc1.
What is the InChIKey of chloro(phenyl)sulfanium?
The InChIKey is JWUKZUIGOJBEPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H/p+1.
What are the key properties of chloro(phenyl)sulfanium?
chloro(phenyl)sulfanium has a molecular weight of 145.63 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(phenyl)sulfanium is sourced from PubChem (CID 154256106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).