N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine

C7H6ClF3N2S — CID 150390045

IUPACN-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
SMILESNc1cc(C(F)(F)F)cc(Cl)c1NS
InChIInChI=1S/C7H6ClF3N2S/c8-4-1-3(7(9,10)11)2-5(12)6(4)13-14/h1-2,13-14H,12H2
InChIKeyHBMXLRXWZTVSET-UHFFFAOYSA-N
MW242.65 g/mol
LogP3.20
Rot. Bonds1

About N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine

N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine (PubChem CID 150390045) has the molecular formula C7H6ClF3N2S and a molecular weight of 242.65 g/mol. Its IUPAC name is N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
PubChem CID150390045
Molecular FormulaC7H6ClF3N2S
Molecular Weight242.65 g/mol
Exact Mass241.99
IUPAC NameN-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
SMILESNc1cc(C(F)(F)F)cc(Cl)c1NS
InChIInChI=1S/C7H6ClF3N2S/c8-4-1-3(7(9,10)11)2-5(12)6(4)13-14/h1-2,13-14H,12H2
InChIKeyHBMXLRXWZTVSET-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
2-(bromomethyl)-3-chloro-5-(trifluoromethyl)aniline
CID 119017440
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
2-chloro-6-fluoro-4-(trifluoromethyl)aniline;2-fluoro-4-(trifluoromethyl)aniline;methane
CID 159370477
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
3-amino-2,5-bis(trifluoromethyl)benzoyl chloride
CID 134624066
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
3-chloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698695

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine?
The IUPAC name of N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine (CID 150390045) is N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine.
What is the SMILES notation for N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine?
The canonical SMILES for N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine is Nc1cc(C(F)(F)F)cc(Cl)c1NS.
What is the InChIKey of N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine?
The InChIKey is HBMXLRXWZTVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2S/c8-4-1-3(7(9,10)11)2-5(12)6(4)13-14/h1-2,13-14H,12H2.
What are the key properties of N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine?
N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine has a molecular weight of 242.65 g/mol, XLogP of 3.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 150390045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).