N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine

C6H5BrF5NS2 — CID 140695542

IUPACN-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine
SMILESFS(F)(F)(F)(F)c1cc(Br)cc(NS)c1
InChIInChI=1S/C6H5BrF5NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3,13-14H
InChIKeyUDRBXLKEQLYIQS-UHFFFAOYSA-N
MW330.14 g/mol
LogP5.36
Rot. Bonds2

About N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine

N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine (PubChem CID 140695542) has the molecular formula C6H5BrF5NS2 and a molecular weight of 330.14 g/mol. Its IUPAC name is N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine
PubChem CID140695542
Molecular FormulaC6H5BrF5NS2
Molecular Weight330.14 g/mol
Exact Mass328.90
IUPAC NameN-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine
SMILESFS(F)(F)(F)(F)c1cc(Br)cc(NS)c1
InChIInChI=1S/C6H5BrF5NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3,13-14H
InChIKeyUDRBXLKEQLYIQS-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.14
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-4-(pentafluorosulfanyl)aniline
CID 12992038
4-Bromo-3-(pentafluoro-lambda6-sulfanyl)aniline
CID 86701290
2-Bromo-5-(pentafluoro-l6-sulfanyl)aniline
CID 91926745
3-Amino-5-bromobenzene-1-sulfonyl fluoride
CID 137949483
3-Bromo-5-(pentafluorosulfur)aniline
CID 66523457
4-Bromo-3-fluoro-5-(pentafluoro-lambda6-sulfanyl)aniline
CID 90070803
(2-Bromo-3-fluoro-5-thionitrosophenyl)-pentafluoro-lambda6-sulfane
CID 118478890
(3-Bromo-5-thionitrosophenyl)-pentafluoro-lambda6-sulfane
CID 118478899
N-[4-bromo-3-fluoro-5-(pentafluoro-lambda6-sulfanyl)phenyl]thiohydroxylamine
CID 140695539
N-[3-bromo-5-(pentafluoro-lambda6-sulfanyl)phenyl]methanesulfonamide
CID 150627497
3-Bromo-4-(pentafluoro-lambda6-sulfanyl)aniline
CID 176140137
5-Bromo-3,4-diaminophenylsulphur pentafluoride
CID 45933648

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine?
The IUPAC name of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine (CID 140695542) is N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine.
What is the SMILES notation for N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine?
The canonical SMILES for N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine is FS(F)(F)(F)(F)c1cc(Br)cc(NS)c1.
What is the InChIKey of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine?
The InChIKey is UDRBXLKEQLYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF5NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3,13-14H.
What are the key properties of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine?
N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine has a molecular weight of 330.14 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 140695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).