(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane

C8H9Cl2NOS — CID 125454990

IUPAC(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2NOS/c1-13(2,12)11-8-5-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKeyWXGHKEBKVVJISK-UHFFFAOYSA-N
MW238.14 g/mol
LogP3.35
Rot. Bonds1

About (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane

(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane (PubChem CID 125454990) has the molecular formula C8H9Cl2NOS and a molecular weight of 238.14 g/mol. Its IUPAC name is (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
PubChem CID125454990
Molecular FormulaC8H9Cl2NOS
Molecular Weight238.14 g/mol
Exact Mass236.98
IUPAC Name(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2NOS/c1-13(2,12)11-8-5-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKeyWXGHKEBKVVJISK-UHFFFAOYSA-N
XLogP3.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene
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(4-chlorophenyl)-(2,5-dichlorophenyl)sulfonylazanide
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1-(2,5-dichlorophenyl)-3-methylsulfonylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane (CID 125454990) is (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is WXGHKEBKVVJISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NOS/c1-13(2,12)11-8-5-6(9)3-4-7(8)10/h3-5H,1-2H3.
What are the key properties of (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane?
(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 238.14 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 125454990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).