(4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane

C8H10BrNOS — CID 118998786

IUPAC(4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyYZMQJOMQKHVCPJ-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.87
Rot. Bonds2

About (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane

(4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane (PubChem CID 118998786) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
PubChem CID118998786
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC Name(4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyYZMQJOMQKHVCPJ-UHFFFAOYSA-N
XLogP2.87
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane (CID 118998786) is (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is YZMQJOMQKHVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3.
What are the key properties of (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
(4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 248.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 118998786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).