(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane

C8H10ClNOS — CID 134690739

IUPAC(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNOS/c1-2-12(10,11)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKeyYBVKBJOUBZSWBM-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.77
Rot. Bonds2

About (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane

(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane (PubChem CID 134690739) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
PubChem CID134690739
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNOS/c1-2-12(10,11)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKeyYBVKBJOUBZSWBM-UHFFFAOYSA-N
XLogP2.77
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane (CID 134690739) is (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is YBVKBJOUBZSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-2-12(10,11)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3.
What are the key properties of (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane?
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 203.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 134690739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).