S-(2-amino-3-fluorophenyl)thiohydroxylamine

C6H7FN2S — CID 143826025

IUPACS-(2-amino-3-fluorophenyl)thiohydroxylamine
SMILESNSc1cccc(F)c1N
InChIInChI=1S/C6H7FN2S/c7-4-2-1-3-5(10-9)6(4)8/h1-3H,8-9H2
InChIKeyHVFHGBHPSKFVDV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.37
Rot. Bonds1

About S-(2-amino-3-fluorophenyl)thiohydroxylamine

S-(2-amino-3-fluorophenyl)thiohydroxylamine (PubChem CID 143826025) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is S-(2-amino-3-fluorophenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-amino-3-fluorophenyl)thiohydroxylamine
PubChem CID143826025
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC NameS-(2-amino-3-fluorophenyl)thiohydroxylamine
SMILESNSc1cccc(F)c1N
InChIInChI=1S/C6H7FN2S/c7-4-2-1-3-5(10-9)6(4)8/h1-3H,8-9H2
InChIKeyHVFHGBHPSKFVDV-UHFFFAOYSA-N
XLogP1.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)sulfanyl-6-fluoroaniline
CID 60788721
2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
CID 54920833
2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60789217
2-[bis(methylsulfanyl)methyl]-6-fluoroaniline
CID 13465654
2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60789334
3-fluorobenzene-1,2-diamine;sulfur monoxide
CID 144699630
2-bromo-6-fluoroaniline;dihydrofluoride
CID 174694012
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
1-N-(3,3-dimethylbutan-2-yl)-3-fluorobenzene-1,2-diamine
CID 104827436
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
2-(1-aminopropyl)-6-fluoroaniline
CID 55282936
S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
CID 143826111

Frequently Asked Questions

What is the IUPAC name of S-(2-amino-3-fluorophenyl)thiohydroxylamine?
The IUPAC name of S-(2-amino-3-fluorophenyl)thiohydroxylamine (CID 143826025) is S-(2-amino-3-fluorophenyl)thiohydroxylamine.
What is the SMILES notation for S-(2-amino-3-fluorophenyl)thiohydroxylamine?
The canonical SMILES for S-(2-amino-3-fluorophenyl)thiohydroxylamine is NSc1cccc(F)c1N.
What is the InChIKey of S-(2-amino-3-fluorophenyl)thiohydroxylamine?
The InChIKey is HVFHGBHPSKFVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c7-4-2-1-3-5(10-9)6(4)8/h1-3H,8-9H2.
What are the key properties of S-(2-amino-3-fluorophenyl)thiohydroxylamine?
S-(2-amino-3-fluorophenyl)thiohydroxylamine has a molecular weight of 158.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-amino-3-fluorophenyl)thiohydroxylamine is sourced from PubChem (CID 143826025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).