O-methyl N-(2-chlorophenyl)carbamothioate

C8H8ClNOS — CID 2741365

IUPACO-methyl N-(2-chlorophenyl)carbamothioate
SMILESCOC(=S)Nc1ccccc1Cl
InChIInChI=1S/C8H8ClNOS/c1-11-8(12)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,12)
InChIKeyFEZPTANOZOILLS-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.68
Rot. Bonds1

About O-methyl N-(2-chlorophenyl)carbamothioate

O-methyl N-(2-chlorophenyl)carbamothioate (PubChem CID 2741365) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is O-methyl N-(2-chlorophenyl)carbamothioate.

Molecular Properties

Compound NameO-methyl N-(2-chlorophenyl)carbamothioate
PubChem CID2741365
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC NameO-methyl N-(2-chlorophenyl)carbamothioate
SMILESCOC(=S)Nc1ccccc1Cl
InChIInChI=1S/C8H8ClNOS/c1-11-8(12)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,12)
InChIKeyFEZPTANOZOILLS-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-methyl N-(2-chlorophenyl)carbamothioate 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

N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
N-(2-chlorophenyl)-1-diphenylphosphorylmethanethioamide
CID 2776625
2-[(2-chlorophenyl)carbamothioylamino]benzenethiolate
CID 6932852
1-(2-chlorophenyl)-3-cyanothiourea
CID 11769784
N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide
CID 134122710
1-(2-chlorophenyl)-3-[3-(3,4-dimethoxyphenyl)propyl]thiourea
CID 48553603
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea
CID 23737685
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665

Frequently Asked Questions

What is the IUPAC name of O-methyl N-(2-chlorophenyl)carbamothioate?
The IUPAC name of O-methyl N-(2-chlorophenyl)carbamothioate (CID 2741365) is O-methyl N-(2-chlorophenyl)carbamothioate.
What is the SMILES notation for O-methyl N-(2-chlorophenyl)carbamothioate?
The canonical SMILES for O-methyl N-(2-chlorophenyl)carbamothioate is COC(=S)Nc1ccccc1Cl.
What is the InChIKey of O-methyl N-(2-chlorophenyl)carbamothioate?
The InChIKey is FEZPTANOZOILLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c1-11-8(12)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,12).
What are the key properties of O-methyl N-(2-chlorophenyl)carbamothioate?
O-methyl N-(2-chlorophenyl)carbamothioate has a molecular weight of 201.68 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-(2-chlorophenyl)carbamothioate is sourced from PubChem (CID 2741365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).