chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane

C7H6Cl2OS — CID 59505270

IUPACchloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(Cl)c1ccccc1Cl
InChIInChI=1S/C7H6Cl2OS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H2
InChIKeyYZRVDJPUXYAXCR-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.57
Rot. Bonds1

About chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane

chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane (PubChem CID 59505270) has the molecular formula C7H6Cl2OS and a molecular weight of 209.10 g/mol. Its IUPAC name is chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Namechloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane
PubChem CID59505270
Molecular FormulaC7H6Cl2OS
Molecular Weight209.10 g/mol
Exact Mass207.95
IUPAC Namechloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(Cl)c1ccccc1Cl
InChIInChI=1S/C7H6Cl2OS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H2
InChIKeyYZRVDJPUXYAXCR-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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potassium;2-chlorobenzenesulfonic acid;hydride
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1-chloro-2-ethenylbenzene;sulfuryl dichloride
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CID 106435641
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
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2-chlorobenzenesulfonamide;2,3-dichloropyrazine
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Frequently Asked Questions

What is the IUPAC name of chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane?
The IUPAC name of chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane (CID 59505270) is chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane?
The canonical SMILES for chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane is C=S(=O)(Cl)c1ccccc1Cl.
What is the InChIKey of chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane?
The InChIKey is YZRVDJPUXYAXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2OS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H2.
What are the key properties of chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane?
chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane has a molecular weight of 209.10 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 59505270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).