3-chloro-N-(dimethylcarbamothioyl)benzamide

C10H11ClN2OS — CID 2302012

IUPAC3-chloro-N-(dimethylcarbamothioyl)benzamide
SMILESCN(C)C(=S)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-13(2)10(15)12-9(14)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,14,15)
InChIKeyVJZNEZSJHXIWAM-UHFFFAOYSA-N
MW242.73 g/mol
LogP1.92
Rot. Bonds1

About 3-chloro-N-(dimethylcarbamothioyl)benzamide

3-chloro-N-(dimethylcarbamothioyl)benzamide (PubChem CID 2302012) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-chloro-N-(dimethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(dimethylcarbamothioyl)benzamide
PubChem CID2302012
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name3-chloro-N-(dimethylcarbamothioyl)benzamide
SMILESCN(C)C(=S)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-13(2)10(15)12-9(14)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,14,15)
InChIKeyVJZNEZSJHXIWAM-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
CID 4940486
3-[(3-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232103
3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
CID 2768727
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
3-chloro-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4940435
3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161946
3-chloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230427
3-(3-chlorophenyl)-1,1-dimethylthiourea
CID 3667583
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 881340
3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 4635057

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(dimethylcarbamothioyl)benzamide?
The IUPAC name of 3-chloro-N-(dimethylcarbamothioyl)benzamide (CID 2302012) is 3-chloro-N-(dimethylcarbamothioyl)benzamide.
What is the SMILES notation for 3-chloro-N-(dimethylcarbamothioyl)benzamide?
The canonical SMILES for 3-chloro-N-(dimethylcarbamothioyl)benzamide is CN(C)C(=S)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(dimethylcarbamothioyl)benzamide?
The InChIKey is VJZNEZSJHXIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-13(2)10(15)12-9(14)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of 3-chloro-N-(dimethylcarbamothioyl)benzamide?
3-chloro-N-(dimethylcarbamothioyl)benzamide has a molecular weight of 242.73 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(dimethylcarbamothioyl)benzamide is sourced from PubChem (CID 2302012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).