N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine

C8H7ClF3NS — CID 148766758

IUPACN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
SMILESFC(F)(F)c1ccc(Cl)c(CNS)c1
InChIInChI=1S/C8H7ClF3NS/c9-7-2-1-6(8(10,11)12)3-5(7)4-13-14/h1-3,13-14H,4H2
InChIKeyOHPUNQLPNUTBFC-UHFFFAOYSA-N
MW241.67 g/mol
LogP3.29
Rot. Bonds2

About N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine (PubChem CID 148766758) has the molecular formula C8H7ClF3NS and a molecular weight of 241.67 g/mol. Its IUPAC name is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
PubChem CID148766758
Molecular FormulaC8H7ClF3NS
Molecular Weight241.67 g/mol
Exact Mass240.99
IUPAC NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
SMILESFC(F)(F)c1ccc(Cl)c(CNS)c1
InChIInChI=1S/C8H7ClF3NS/c9-7-2-1-6(8(10,11)12)3-5(7)4-13-14/h1-3,13-14H,4H2
InChIKeyOHPUNQLPNUTBFC-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 53.29
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

1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine
CID 171682062
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 11952114
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75431904
CID 71212803
CID 71212803

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine?
The IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine (CID 148766758) is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine.
What is the SMILES notation for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine?
The canonical SMILES for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine is FC(F)(F)c1ccc(Cl)c(CNS)c1.
What is the InChIKey of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine?
The InChIKey is OHPUNQLPNUTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NS/c9-7-2-1-6(8(10,11)12)3-5(7)4-13-14/h1-3,13-14H,4H2.
What are the key properties of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine?
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine has a molecular weight of 241.67 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine is sourced from PubChem (CID 148766758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).