chlorobenzene;methylsulfanyloxysulfanylmethane

C8H11ClOS2 — CID 175343732

IUPACchlorobenzene;methylsulfanyloxysulfanylmethane
SMILESCSOSC.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C2H6OS2/c7-6-4-2-1-3-5-6;1-4-3-5-2/h1-5H;1-2H3
InChIKeyQYMWYFMELJKXCY-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.90
Rot. Bonds2

About chlorobenzene;methylsulfanyloxysulfanylmethane

chlorobenzene;methylsulfanyloxysulfanylmethane (PubChem CID 175343732) has the molecular formula C8H11ClOS2 and a molecular weight of 222.76 g/mol. Its IUPAC name is chlorobenzene;methylsulfanyloxysulfanylmethane.

Molecular Properties

Compound Namechlorobenzene;methylsulfanyloxysulfanylmethane
PubChem CID175343732
Molecular FormulaC8H11ClOS2
Molecular Weight222.76 g/mol
Exact Mass221.99
IUPAC Namechlorobenzene;methylsulfanyloxysulfanylmethane
SMILESCSOSC.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C2H6OS2/c7-6-4-2-1-3-5-6;1-4-3-5-2/h1-5H;1-2H3
InChIKeyQYMWYFMELJKXCY-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chlorobenzene;methylsulfanyloxysulfanylmethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;chlorobenzene
CID 159657667
chlorobenzene;methanol
CID 20549646
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
chlorobenzene;phenoxybenzene
CID 66911253
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513
magnesium;chlorobenzene;chloride
CID 22400294
potassium;chlorobenzene;hydride
CID 173115077
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
chlorobenzene;hydrazine
CID 69403092
sodium;chlorobenzene;hydride
CID 173115235

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;methylsulfanyloxysulfanylmethane?
The IUPAC name of chlorobenzene;methylsulfanyloxysulfanylmethane (CID 175343732) is chlorobenzene;methylsulfanyloxysulfanylmethane.
What is the SMILES notation for chlorobenzene;methylsulfanyloxysulfanylmethane?
The canonical SMILES for chlorobenzene;methylsulfanyloxysulfanylmethane is CSOSC.Clc1ccccc1.
What is the InChIKey of chlorobenzene;methylsulfanyloxysulfanylmethane?
The InChIKey is QYMWYFMELJKXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C2H6OS2/c7-6-4-2-1-3-5-6;1-4-3-5-2/h1-5H;1-2H3.
What are the key properties of chlorobenzene;methylsulfanyloxysulfanylmethane?
chlorobenzene;methylsulfanyloxysulfanylmethane has a molecular weight of 222.76 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;methylsulfanyloxysulfanylmethane is sourced from PubChem (CID 175343732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).