N-(1-phenylpropan-2-yl)thiohydroxylamine

C9H13NS — CID 23498394

IUPACN-(1-phenylpropan-2-yl)thiohydroxylamine
SMILESCC(Cc1ccccc1)NS
InChIInChI=1S/C9H13NS/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyCKQUHEBEHNWSBX-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.05
Rot. Bonds3

About N-(1-phenylpropan-2-yl)thiohydroxylamine

N-(1-phenylpropan-2-yl)thiohydroxylamine (PubChem CID 23498394) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)thiohydroxylamine
PubChem CID23498394
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-(1-phenylpropan-2-yl)thiohydroxylamine
SMILESCC(Cc1ccccc1)NS
InChIInChI=1S/C9H13NS/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyCKQUHEBEHNWSBX-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-phenylpropan-2-yl)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

N-methyl-1-phenylpropan-2-amine
CID 118309477
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
(1-phenylpropan-2-ylamino)methanol
CID 54463712
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
CID 144911741
methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
CID 156733135
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)thiohydroxylamine?
The IUPAC name of N-(1-phenylpropan-2-yl)thiohydroxylamine (CID 23498394) is N-(1-phenylpropan-2-yl)thiohydroxylamine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)thiohydroxylamine?
The canonical SMILES for N-(1-phenylpropan-2-yl)thiohydroxylamine is CC(Cc1ccccc1)NS.
What is the InChIKey of N-(1-phenylpropan-2-yl)thiohydroxylamine?
The InChIKey is CKQUHEBEHNWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3.
What are the key properties of N-(1-phenylpropan-2-yl)thiohydroxylamine?
N-(1-phenylpropan-2-yl)thiohydroxylamine has a molecular weight of 167.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)thiohydroxylamine is sourced from PubChem (CID 23498394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).