(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane

C11H16ClNOS — CID 125456307

IUPAC(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=Nc1cccc(Cl)c1C
InChIInChI=1S/C11H16ClNOS/c1-4-15(14,5-2)13-11-8-6-7-10(12)9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyUFKLEXYIZVYNBI-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.79
Rot. Bonds3

About (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane

(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane (PubChem CID 125456307) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane
PubChem CID125456307
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane
SMILESCCS(=O)(CC)=Nc1cccc(Cl)c1C
InChIInChI=1S/C11H16ClNOS/c1-4-15(14,5-2)13-11-8-6-7-10(12)9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyUFKLEXYIZVYNBI-UHFFFAOYSA-N
XLogP3.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane?
The IUPAC name of (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane (CID 125456307) is (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane.
What is the SMILES notation for (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane?
The canonical SMILES for (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane is CCS(=O)(CC)=Nc1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane?
The InChIKey is UFKLEXYIZVYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-4-15(14,5-2)13-11-8-6-7-10(12)9(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane?
(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane has a molecular weight of 245.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane is sourced from PubChem (CID 125456307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).