(4-carbamothioyl-2-chlorophenyl)urea

C8H8ClN3OS — CID 107808654

IUPAC(4-carbamothioyl-2-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C8H8ClN3OS/c9-5-3-4(7(10)14)1-2-6(5)12-8(11)13/h1-3H,(H2,10,14)(H3,11,12,13)
InChIKeyZXAKPSNQLOIHCJ-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.46
Rot. Bonds2

About (4-carbamothioyl-2-chlorophenyl)urea

(4-carbamothioyl-2-chlorophenyl)urea (PubChem CID 107808654) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is (4-carbamothioyl-2-chlorophenyl)urea.

Molecular Properties

Compound Name(4-carbamothioyl-2-chlorophenyl)urea
PubChem CID107808654
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name(4-carbamothioyl-2-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C8H8ClN3OS/c9-5-3-4(7(10)14)1-2-6(5)12-8(11)13/h1-3H,(H2,10,14)(H3,11,12,13)
InChIKeyZXAKPSNQLOIHCJ-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.46
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

N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107808560
N-(4-carbamothioyl-2-chlorophenyl)-3-phenylpropanamide
CID 107808479
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(4-carbamothioyl-2-chlorophenyl)-4-methylpentanamide
CID 114003499
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
N-(4-carbamothioyl-2-chlorophenyl)-4-methylcyclohexane-1-carboxamide
CID 107808533
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-2-fluorobenzamide
CID 107808358
1-butyl-3-(4-carbamothioyl-2-chlorophenyl)urea
CID 107808646
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440

Frequently Asked Questions

What is the IUPAC name of (4-carbamothioyl-2-chlorophenyl)urea?
The IUPAC name of (4-carbamothioyl-2-chlorophenyl)urea (CID 107808654) is (4-carbamothioyl-2-chlorophenyl)urea.
What is the SMILES notation for (4-carbamothioyl-2-chlorophenyl)urea?
The canonical SMILES for (4-carbamothioyl-2-chlorophenyl)urea is NC(=O)Nc1ccc(C(N)=S)cc1Cl.
What is the InChIKey of (4-carbamothioyl-2-chlorophenyl)urea?
The InChIKey is ZXAKPSNQLOIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c9-5-3-4(7(10)14)1-2-6(5)12-8(11)13/h1-3H,(H2,10,14)(H3,11,12,13).
What are the key properties of (4-carbamothioyl-2-chlorophenyl)urea?
(4-carbamothioyl-2-chlorophenyl)urea has a molecular weight of 229.69 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamothioyl-2-chlorophenyl)urea is sourced from PubChem (CID 107808654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).