chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane

C10H13ClO2S — CID 59505386

IUPACchloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(Cl)c1c(C)cc(OC)cc1C
InChIInChI=1S/C10H13ClO2S/c1-7-5-9(13-3)6-8(2)10(7)14(4,11)12/h5-6H,4H2,1-3H3
InChIKeyPPRRLMLDRXQVKM-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.54
Rot. Bonds2

About chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane

chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane (PubChem CID 59505386) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Namechloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane
PubChem CID59505386
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Namechloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(Cl)c1c(C)cc(OC)cc1C
InChIInChI=1S/C10H13ClO2S/c1-7-5-9(13-3)6-8(2)10(7)14(4,11)12/h5-6H,4H2,1-3H3
InChIKeyPPRRLMLDRXQVKM-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane?
The IUPAC name of chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane (CID 59505386) is chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane?
The canonical SMILES for chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane is C=S(=O)(Cl)c1c(C)cc(OC)cc1C.
What is the InChIKey of chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane?
The InChIKey is PPRRLMLDRXQVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-7-5-9(13-3)6-8(2)10(7)14(4,11)12/h5-6H,4H2,1-3H3.
What are the key properties of chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane?
chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane has a molecular weight of 232.73 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 59505386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).