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

C8H10BrNOS — CID 90414134

IUPAC(3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cccc(Br)c1
InChIInChI=1S/C8H10BrNOS/c1-12(2,11)10-8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyCTIMVZSQYDXRAP-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.81
Rot. Bonds1

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

(3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane (PubChem CID 90414134) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane
PubChem CID90414134
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC Name(3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cccc(Br)c1
InChIInChI=1S/C8H10BrNOS/c1-12(2,11)10-8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyCTIMVZSQYDXRAP-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 (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane (CID 90414134) is (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is CTIMVZSQYDXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-12(2,11)10-8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane?
(3-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 (3-bromophenyl)imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 90414134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).