N-[(4-chlorophenyl)carbamothioyl]acetamide

C9H9ClN2OS — CID 880290

IUPACN-[(4-chlorophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2OS/c1-6(13)11-9(14)12-8-4-2-7(10)3-5-8/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyCLLWVBNQTOJUTJ-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.17
Rot. Bonds1

About N-[(4-chlorophenyl)carbamothioyl]acetamide

N-[(4-chlorophenyl)carbamothioyl]acetamide (PubChem CID 880290) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamothioyl]acetamide
PubChem CID880290
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC NameN-[(4-chlorophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2OS/c1-6(13)11-9(14)12-8-4-2-7(10)3-5-8/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyCLLWVBNQTOJUTJ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Monuron
CID 8800
4-Chlorophenylurea
CID 8796
Monomethylmonuron
CID 79309
N-(4-Chlorophenyl)acetamide
CID 10871
Di-p-chlorophenylthiourea
CID 2798589
4-Chlorophenyl-2-thiourea
CID 735843
4,4'-Dichlorocarbanilide
CID 94996
Thiourea, (3-chlorophenyl)-
CID 2734794
3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea
CID 2731043
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
1-(4-Chlorophenyl)-3-phenyl-2-thiourea
CID 853759
1-Acetyl-3-phenyl-2-thiourea
CID 853886

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)carbamothioyl]acetamide (CID 880290) is N-[(4-chlorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamothioyl]acetamide?
The InChIKey is CLLWVBNQTOJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-6(13)11-9(14)12-8-4-2-7(10)3-5-8/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of N-[(4-chlorophenyl)carbamothioyl]acetamide?
N-[(4-chlorophenyl)carbamothioyl]acetamide has a molecular weight of 228.70 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 880290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).