(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane

C8H10BrNOS — CID 90045392

IUPAC(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyRTQSXUUJYSEFNG-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.54
Rot. Bonds1

About (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane

(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 90045392) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
PubChem CID90045392
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC Name(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyRTQSXUUJYSEFNG-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N,S-dimethylsulfonimidoyl)aniline
CID 59674088
(4-bromophenyl)-methyl-oxo-(trifluoromethylimino)-λ6-sulfane
CID 130378187
4-bromobenzenesulfonyl chloride
CID 174561770
4-bromobenzenesulfonamide;ethane
CID 143929211
N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165438024
barium(2+);bis(4-bromobenzenesulfonate)
CID 139842323
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
1-bromo-4-diazoniosulfonylbenzene
CID 170092601
(4-bromophenyl)-imino-methyl-oxo-λ6-sulfane;(4-bromophenyl)-methyl-oxo-propylimino-λ6-sulfane;1-bromopropane
CID 158197003
(4-bromophenyl)sulfonyl-trimethyl-oxo-λ6-sulfane
CID 170006379
4-bromobenzenesulfonic acid;indigane
CID 173230394
4-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83023481

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane (CID 90045392) is (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane is CN=S(C)(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is RTQSXUUJYSEFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane?
(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 248.15 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 90045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).