1-carbamothioyl-3-(2-chlorophenyl)urea

C8H8ClN3OS — CID 134087665

IUPAC1-carbamothioyl-3-(2-chlorophenyl)urea
SMILESNC(=S)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C8H8ClN3OS/c9-5-3-1-2-4-6(5)11-8(13)12-7(10)14/h1-4H,(H4,10,11,12,13,14)
InChIKeyVJCUNGHVKDFVGH-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.71
Rot. Bonds1

About 1-carbamothioyl-3-(2-chlorophenyl)urea

1-carbamothioyl-3-(2-chlorophenyl)urea (PubChem CID 134087665) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-carbamothioyl-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-carbamothioyl-3-(2-chlorophenyl)urea
PubChem CID134087665
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name1-carbamothioyl-3-(2-chlorophenyl)urea
SMILESNC(=S)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C8H8ClN3OS/c9-5-3-1-2-4-6(5)11-8(13)12-7(10)14/h1-4H,(H4,10,11,12,13,14)
InChIKeyVJCUNGHVKDFVGH-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
CID 61124006
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
1-(2-chlorophenyl)-3-(1-methylpyrrole-2-carbothioyl)urea
CID 2731729
N-carbamothioyl-2-chlorobenzamide
CID 3909253
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-[(4-carbamothioylphenyl)methyl]-3-(2-chlorophenyl)urea
CID 62311627
4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746375
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-(2-chlorophenyl)urea?
The IUPAC name of 1-carbamothioyl-3-(2-chlorophenyl)urea (CID 134087665) is 1-carbamothioyl-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-carbamothioyl-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-carbamothioyl-3-(2-chlorophenyl)urea is NC(=S)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-carbamothioyl-3-(2-chlorophenyl)urea?
The InChIKey is VJCUNGHVKDFVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c9-5-3-1-2-4-6(5)11-8(13)12-7(10)14/h1-4H,(H4,10,11,12,13,14).
What are the key properties of 1-carbamothioyl-3-(2-chlorophenyl)urea?
1-carbamothioyl-3-(2-chlorophenyl)urea has a molecular weight of 229.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-(2-chlorophenyl)urea is sourced from PubChem (CID 134087665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).