methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine

C10H17NOS — CID 167522509

IUPACmethane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine
SMILESC.Cc1cc(C)c(SON)c(C)c1
InChIInChI=1S/C9H13NOS.CH4/c1-6-4-7(2)9(12-11-10)8(3)5-6;/h4-5H,10H2,1-3H3;1H4
InChIKeyAOTZTBMIFGMNKG-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.15
Rot. Bonds2

About methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine

methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine (PubChem CID 167522509) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine.

Molecular Properties

Compound Namemethane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine
PubChem CID167522509
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Namemethane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine
SMILESC.Cc1cc(C)c(SON)c(C)c1
InChIInChI=1S/C9H13NOS.CH4/c1-6-4-7(2)9(12-11-10)8(3)5-6;/h4-5H,10H2,1-3H3;1H4
InChIKeyAOTZTBMIFGMNKG-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene
CID 159927452
amino 2,4,6-trimethylbenzenesulfonate
CID 11830845
ethyl (2,4,6-trimethylphenyl)sulfanylformate
CID 117035888
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
CID 116853499
O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine
CID 143470684
N-[(2,4,6-trimethylphenyl)sulfanylmethyl]ethanamine
CID 117032851
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
cobalt;2,4,6-trimethylaniline
CID 159454360
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
amino 2,4,6-trimethylbenzenesulfonate;methyl 2,4,6-trimethylbenzenesulfonate
CID 163939417

Frequently Asked Questions

What is the IUPAC name of methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine?
The IUPAC name of methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine (CID 167522509) is methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine.
What is the SMILES notation for methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine?
The canonical SMILES for methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine is C.Cc1cc(C)c(SON)c(C)c1.
What is the InChIKey of methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine?
The InChIKey is AOTZTBMIFGMNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.CH4/c1-6-4-7(2)9(12-11-10)8(3)5-6;/h4-5H,10H2,1-3H3;1H4.
What are the key properties of methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine?
methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine has a molecular weight of 199.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine is sourced from PubChem (CID 167522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).