methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate

C9H12N2O2S2 — CID 5368528

IUPACmethyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
SMILESCS/C(N)=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O2S2/c1-7-3-5-8(6-4-7)15(12,13)11-9(10)14-2/h3-6H,1-2H3,(H2,10,11)
InChIKeyZWAMEGGTEJHAOT-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.36
Rot. Bonds2

About methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate

methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate (PubChem CID 5368528) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
PubChem CID5368528
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Namemethyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
SMILESCS/C(N)=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O2S2/c1-7-3-5-8(6-4-7)15(12,13)11-9(10)14-2/h3-6H,1-2H3,(H2,10,11)
InChIKeyZWAMEGGTEJHAOT-UHFFFAOYSA-N
XLogP1.36
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate 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

[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl] methanimidothioate
CID 143880078
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
dimethyl (1Z,4Z)-1-N,4-N-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate
CID 14981602
1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
CID 4610108
3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
methyl N'-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]carbamimidothioate
CID 44724565
2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
CID 71380234
1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine
CID 70031724
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051

Frequently Asked Questions

What is the IUPAC name of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The IUPAC name of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate (CID 5368528) is methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate.
What is the SMILES notation for methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The canonical SMILES for methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate is CS/C(N)=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
The InChIKey is ZWAMEGGTEJHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-7-3-5-8(6-4-7)15(12,13)11-9(10)14-2/h3-6H,1-2H3,(H2,10,11).
What are the key properties of methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate?
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate has a molecular weight of 244.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate is sourced from PubChem (CID 5368528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).