S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine

C7H6F3NOS — CID 87768766

IUPACS-[4-(trifluoromethoxy)phenyl]thiohydroxylamine
SMILESNSc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)12-5-1-3-6(13-11)4-2-5/h1-4H,11H2
InChIKeyPTVFTLSCFMMFOP-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.55
Rot. Bonds2

About S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine

S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine (PubChem CID 87768766) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-(trifluoromethoxy)phenyl]thiohydroxylamine
PubChem CID87768766
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC NameS-[4-(trifluoromethoxy)phenyl]thiohydroxylamine
SMILESNSc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)12-5-1-3-6(13-11)4-2-5/h1-4H,11H2
InChIKeyPTVFTLSCFMMFOP-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(disulfanyl)-4-(trifluoromethoxy)benzene
CID 87458769
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
4-[4-(trifluoromethoxy)phenyl]sulfanylbenzenethiol
CID 177164291
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
trifluoromethoxybenzene
CID 157402708
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
1-[1-(4-aminosulfanylbenzoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 145475102
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide
CID 175987906

Frequently Asked Questions

What is the IUPAC name of S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine?
The IUPAC name of S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine (CID 87768766) is S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine is NSc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine?
The InChIKey is PTVFTLSCFMMFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)12-5-1-3-6(13-11)4-2-5/h1-4H,11H2.
What are the key properties of S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine?
S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine has a molecular weight of 209.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine is sourced from PubChem (CID 87768766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).