2,4-dimethyl-6-thionitrosoaniline

C8H10N2S — CID 123917345

IUPAC2,4-dimethyl-6-thionitrosoaniline
SMILESCc1cc(C)c(N)c(N=S)c1
InChIInChI=1S/C8H10N2S/c1-5-3-6(2)8(9)7(4-5)10-11/h3-4H,9H2,1-2H3
InChIKeyPFKZAGJHYAQHMJ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.25
Rot. Bonds1

About 2,4-dimethyl-6-thionitrosoaniline

2,4-dimethyl-6-thionitrosoaniline (PubChem CID 123917345) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-thionitrosoaniline.

Molecular Properties

Compound Name2,4-dimethyl-6-thionitrosoaniline
PubChem CID123917345
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2,4-dimethyl-6-thionitrosoaniline
SMILESCc1cc(C)c(N)c(N=S)c1
InChIInChI=1S/C8H10N2S/c1-5-3-6(2)8(9)7(4-5)10-11/h3-4H,9H2,1-2H3
InChIKeyPFKZAGJHYAQHMJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-thionitrosoaniline 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

cobalt;2,4,6-trimethylaniline
CID 159454360
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
N,N-dideuterio-2,4,6-trimethylaniline
CID 138396120
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
CID 91671728
2,4-dimethyl-6-methylsulfonylaniline
CID 23442810
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
CID 143122644
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
3-(2-amino-3,5-dimethylanilino)propanoic acid
CID 91671731
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-thionitrosoaniline?
The IUPAC name of 2,4-dimethyl-6-thionitrosoaniline (CID 123917345) is 2,4-dimethyl-6-thionitrosoaniline.
What is the SMILES notation for 2,4-dimethyl-6-thionitrosoaniline?
The canonical SMILES for 2,4-dimethyl-6-thionitrosoaniline is Cc1cc(C)c(N)c(N=S)c1.
What is the InChIKey of 2,4-dimethyl-6-thionitrosoaniline?
The InChIKey is PFKZAGJHYAQHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5-3-6(2)8(9)7(4-5)10-11/h3-4H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-thionitrosoaniline?
2,4-dimethyl-6-thionitrosoaniline has a molecular weight of 166.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-thionitrosoaniline is sourced from PubChem (CID 123917345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).