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

C7H8BrNOS — CID 122130942

IUPAC(3-bromophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccc(Br)c1
InChIInChI=1S/C7H8BrNOS/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyWJVBEFFLTYIYPW-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.48
Rot. Bonds1

About (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane

(3-bromophenyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 122130942) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-bromophenyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID122130942
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name(3-bromophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccc(Br)c1
InChIInChI=1S/C7H8BrNOS/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyWJVBEFFLTYIYPW-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

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane (CID 122130942) is (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is WJVBEFFLTYIYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,9H,1H3.
What are the key properties of (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane?
(3-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 (3-bromophenyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 122130942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).