ethyl N'-(4-methylphenyl)carbamimidothioate

C10H14N2S — CID 10797903

IUPACethyl N'-(4-methylphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccc(C)cc1
InChIInChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12)
InChIKeyDAWBUMLQTSZJRL-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.69
Rot. Bonds2

About ethyl N'-(4-methylphenyl)carbamimidothioate

ethyl N'-(4-methylphenyl)carbamimidothioate (PubChem CID 10797903) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is ethyl N'-(4-methylphenyl)carbamimidothioate.

Molecular Properties

Compound Nameethyl N'-(4-methylphenyl)carbamimidothioate
PubChem CID10797903
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Nameethyl N'-(4-methylphenyl)carbamimidothioate
SMILESCCS/C(N)=N\c1ccc(C)cc1
InChIInChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12)
InChIKeyDAWBUMLQTSZJRL-UHFFFAOYSA-N
XLogP2.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl N'-(4-methylphenyl)carbamimidothioate 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

o-Tolylbiguanide
CID 7155
Cymiazole
CID 43714
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
CID 3311
S-Ethyl-N-Phenyl-Isothiourea
CID 347590
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
2-p-Tolylamino-thiazol-4-one
CID 135411781
N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2133441
N-[4-(trifluoromethyl)phenyl]guanidine
CID 19841587
N-p-Tolyl-guanidine
CID 409364
S-ethyl-1-phenylisothiourea hydroiodide
CID 20226089
methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate
CID 3495063
(Z)-4-(p-tolylimino)thiazolidin-2-one
CID 135399106

Frequently Asked Questions

What is the IUPAC name of ethyl N'-(4-methylphenyl)carbamimidothioate?
The IUPAC name of ethyl N'-(4-methylphenyl)carbamimidothioate (CID 10797903) is ethyl N'-(4-methylphenyl)carbamimidothioate.
What is the SMILES notation for ethyl N'-(4-methylphenyl)carbamimidothioate?
The canonical SMILES for ethyl N'-(4-methylphenyl)carbamimidothioate is CCS/C(N)=N\c1ccc(C)cc1.
What is the InChIKey of ethyl N'-(4-methylphenyl)carbamimidothioate?
The InChIKey is DAWBUMLQTSZJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12).
What are the key properties of ethyl N'-(4-methylphenyl)carbamimidothioate?
ethyl N'-(4-methylphenyl)carbamimidothioate has a molecular weight of 194.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(4-methylphenyl)carbamimidothioate is sourced from PubChem (CID 10797903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).