S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine

C12H12N2S — CID 144505126

IUPACS-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
SMILESCc1ncccc1-c1ccc(SN)cc1
InChIInChI=1S/C12H12N2S/c1-9-12(3-2-8-14-9)10-4-6-11(15-13)7-5-10/h2-8H,13H2,1H3
InChIKeySOLGGLTXRSVEBW-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.02
Rot. Bonds2

About S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine

S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine (PubChem CID 144505126) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
PubChem CID144505126
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC NameS-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
SMILESCc1ncccc1-c1ccc(SN)cc1
InChIInChI=1S/C12H12N2S/c1-9-12(3-2-8-14-9)10-4-6-11(15-13)7-5-10/h2-8H,13H2,1H3
InChIKeySOLGGLTXRSVEBW-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze S-[4-(2-methyl-3-pyridinyl)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

2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 90168009
ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 144506103
3-[4-(2-methoxyethoxy)phenyl]-2-methylpyridine
CID 90168005
3-(3,5-dichlorophenyl)-2-methylpyridine
CID 90167646
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711
3-phenyl-2-(trideuteriomethyl)pyridine
CID 172854146
2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 122642646
3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636

Frequently Asked Questions

What is the IUPAC name of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?
The IUPAC name of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine (CID 144505126) is S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine is Cc1ncccc1-c1ccc(SN)cc1.
What is the InChIKey of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?
The InChIKey is SOLGGLTXRSVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-12(3-2-8-14-9)10-4-6-11(15-13)7-5-10/h2-8H,13H2,1H3.
What are the key properties of S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine?
S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine has a molecular weight of 216.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 144505126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).