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

C7H8BrNOS — CID 11253292

IUPAC(2-bromophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1Br
InChIInChI=1S/C7H8BrNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyAQOLYXWOVMNOER-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.48
Rot. Bonds1

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

(2-bromophenyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 11253292) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-bromophenyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID11253292
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name(2-bromophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1Br
InChIInChI=1S/C7H8BrNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyAQOLYXWOVMNOER-UHFFFAOYSA-N
XLogP2.48
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromophenyl)-imino-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

Related Compounds

2-Bromobenzenesulfonamide
CID 2801263
1-Bromo-4-(methylsulphonyl)benzene
CID 77014
2-Bromothioanisole
CID 88166
1-Bromo-4-(methylsulphinyl)benzene
CID 3013958
1-Bromo-2-methanesulfinylbenzene
CID 11074873
p-Bromophenyl methyl sulfoximine
CID 11322250
1-Bromo-3-methanesulfinylbenzene
CID 17978763
(R)-(-)-S-Methyl-S-phenylsulfoximine
CID 25036286
1-bromo-3-(S-methylsulfonimidoyl)benzene
CID 122130942
(Methylsulfonimidoyl)benzene
CID 290021
Benzene, 1-bromo-3-(methylsulfonyl)-
CID 2757146
(S)-(+)-S-Methyl-S-phenylsulfoximine
CID 25036288

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane (CID 11253292) is (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is AQOLYXWOVMNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3.
What are the key properties of (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
(2-bromophenyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 234.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 11253292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).