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

C8H10BrNOS — CID 125424894

IUPAC(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1ccccc1Br
InChIInChI=1S/C8H10BrNOS/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3/t12-/m1/s1
InChIKeyBXLFJJUUVHCJSV-GFCCVEGCSA-N
MW248.15 g/mol
LogP2.87
Rot. Bonds2

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

(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane (PubChem CID 125424894) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
PubChem CID125424894
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC Name(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1ccccc1Br
InChIInChI=1S/C8H10BrNOS/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3/t12-/m1/s1
InChIKeyBXLFJJUUVHCJSV-GFCCVEGCSA-N
XLogP2.87
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54596100
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
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2-bromobenzenesulfonate
CID 23001018
2-bromobenzenesulfonamide;hydrochloride
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1-bromo-2-(chloromethylsulfonyl)benzene
CID 13279454
2-bromo-N-methylbenzenesulfonamide
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2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64642580
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane (CID 125424894) is (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane is [H]N=[S@@](=O)(CC)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is BXLFJJUUVHCJSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3/t12-/m1/s1.
What are the key properties of (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane?
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 248.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 125424894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).