N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine

C14H15NOS — CID 90720567

IUPACN-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
SMILESCOc1ccc(-c2cccc(CNS)c2)cc1
InChIInChI=1S/C14H15NOS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15-17/h2-9,15,17H,10H2,1H3
InChIKeyQGKBXNDFTDVNEY-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.30
Rot. Bonds4

About N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine

N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine (PubChem CID 90720567) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
PubChem CID90720567
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
SMILESCOc1ccc(-c2cccc(CNS)c2)cc1
InChIInChI=1S/C14H15NOS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15-17/h2-9,15,17H,10H2,1H3
InChIKeyQGKBXNDFTDVNEY-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(4-methoxyphenyl)phenyl]methyl]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-methoxy-4-[3-(thionitrosomethyl)phenyl]benzene
CID 174476186
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
CID 170888859
2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
CID 173309797
[1-hydroxy-2-[3-(4-methoxyphenyl)phenyl]-1-phosphonoethyl]phosphonic acid
CID 5277489
1,3-diethylbenzene;1,4-diethylbenzene;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)benzene;pentahydrate
CID 159257334
1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
CID 23585516
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
2-methoxy-6-phenylnaphthalene
CID 11253308

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine?
The IUPAC name of N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine (CID 90720567) is N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine is COc1ccc(-c2cccc(CNS)c2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine?
The InChIKey is QGKBXNDFTDVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-16-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15-17/h2-9,15,17H,10H2,1H3.
What are the key properties of N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine?
N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine has a molecular weight of 245.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine is sourced from PubChem (CID 90720567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).