4-chloro-N-(methylcarbamothioyl)benzamide

C9H9ClN2OS — CID 4948495

IUPAC4-chloro-N-(methylcarbamothioyl)benzamide
SMILESCNC(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2OS/c1-11-9(14)12-8(13)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyKBJJWZOLPALYSC-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.57
Rot. Bonds1

About 4-chloro-N-(methylcarbamothioyl)benzamide

4-chloro-N-(methylcarbamothioyl)benzamide (PubChem CID 4948495) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 4-chloro-N-(methylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(methylcarbamothioyl)benzamide
PubChem CID4948495
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name4-chloro-N-(methylcarbamothioyl)benzamide
SMILESCNC(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2OS/c1-11-9(14)12-8(13)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyKBJJWZOLPALYSC-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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

4-fluoro-N-(methylcarbamothioyl)benzamide
CID 4948510
N-[(carbamothioylamino)carbamothioyl]-4-chlorobenzamide
CID 3545072
N-acetyl-4-chlorobenzamide
CID 11735747
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 1011353
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
4-chloro-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide
CID 17162132
4-tert-butyl-N-[[4-[(4-chlorobenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 174979298
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189
(2R)-2-[(4-chlorobenzoyl)carbamothioylamino]butanoate
CID 7040287
N-(methylcarbamothioyl)-4-propoxybenzamide
CID 3665751
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(methylcarbamothioyl)benzamide?
The IUPAC name of 4-chloro-N-(methylcarbamothioyl)benzamide (CID 4948495) is 4-chloro-N-(methylcarbamothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(methylcarbamothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(methylcarbamothioyl)benzamide is CNC(=S)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(methylcarbamothioyl)benzamide?
The InChIKey is KBJJWZOLPALYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-11-9(14)12-8(13)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-N-(methylcarbamothioyl)benzamide?
4-chloro-N-(methylcarbamothioyl)benzamide has a molecular weight of 228.70 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(methylcarbamothioyl)benzamide is sourced from PubChem (CID 4948495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).