methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate

C10H12Cl2N2S — CID 53364325

IUPACmethyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate
SMILESCC/N=C(/Nc1ccc(Cl)c(Cl)c1)SC
InChIInChI=1S/C10H12Cl2N2S/c1-3-13-10(15-2)14-7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyZLZIYYCYDJFVPE-UHFFFAOYSA-N
MW263.19 g/mol
LogP4.14
Rot. Bonds2

About methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate

methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate (PubChem CID 53364325) has the molecular formula C10H12Cl2N2S and a molecular weight of 263.19 g/mol. Its IUPAC name is methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate
PubChem CID53364325
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Namemethyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate
SMILESCC/N=C(/Nc1ccc(Cl)c(Cl)c1)SC
InChIInChI=1S/C10H12Cl2N2S/c1-3-13-10(15-2)14-7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyZLZIYYCYDJFVPE-UHFFFAOYSA-N
XLogP4.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 54.14
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 methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate 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

S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
methyl N'-(dibutylcarbamoyl)-N-[(3,4-dichlorophenyl)carbamoyl]carbamimidothioate
CID 54079841
butyl (NZ)-N-[amino-(3,4-dichloroanilino)methylidene]-N'-ethylcarbamimidothioate
CID 177482985
methyl (NZ)-N-[amino-(3,4-dichloroanilino)methylidene]-N'-octylcarbamimidothioate
CID 177391347
1,3-bis(3,4-dichlorophenyl)thiourea
CID 4763349
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
N-[4-(3,4-dichloroanilino)phenyl]propanamide
CID 112989591
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine
CID 121224973
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
1,1-dibutyl-3-(3,4-dichlorophenyl)thiourea
CID 19653145

Frequently Asked Questions

What is the IUPAC name of methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate?
The IUPAC name of methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate (CID 53364325) is methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate.
What is the SMILES notation for methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate?
The canonical SMILES for methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate is CC/N=C(/Nc1ccc(Cl)c(Cl)c1)SC.
What is the InChIKey of methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate?
The InChIKey is ZLZIYYCYDJFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2S/c1-3-13-10(15-2)14-7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate?
methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate has a molecular weight of 263.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,4-dichlorophenyl)-N'-ethylcarbamimidothioate is sourced from PubChem (CID 53364325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).