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

C8H10BrNOS — CID 125426018

IUPAC(2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1ccccc1Br
InChIInChI=1S/C8H10BrNOS/c1-12(2,11)10-8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyDXVMZFQBXOWCFH-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.81
Rot. Bonds1

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

(2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane (PubChem CID 125426018) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane
PubChem CID125426018
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC Name(2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1ccccc1Br
InChIInChI=1S/C8H10BrNOS/c1-12(2,11)10-8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyDXVMZFQBXOWCFH-UHFFFAOYSA-N
XLogP2.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane (CID 125426018) is (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is DXVMZFQBXOWCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-12(2,11)10-8-6-4-3-5-7(8)9/h3-6H,1-2H3.
What are the key properties of (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
(2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 248.15 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 125426018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).