(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane

C9H12BrNOS — CID 125449498

IUPAC(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1ccccc1Br
InChIInChI=1S/C9H12BrNOS/c1-3-13(2,12)11-9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3/t13-/m1/s1
InChIKeyBSCHPGVBEGYMEY-CYBMUJFWSA-N
MW262.17 g/mol
LogP3.20
Rot. Bonds2

About (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane

(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane (PubChem CID 125449498) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
PubChem CID125449498
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1ccccc1Br
InChIInChI=1S/C9H12BrNOS/c1-3-13(2,12)11-9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3/t13-/m1/s1
InChIKeyBSCHPGVBEGYMEY-CYBMUJFWSA-N
XLogP3.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
The IUPAC name of (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane (CID 125449498) is (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane is CC[S@@](C)(=O)=Nc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
The InChIKey is BSCHPGVBEGYMEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-3-13(2,12)11-9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane?
(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane has a molecular weight of 262.17 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 125449498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).