N-[(2,6-dichlorophenyl)carbamothioyl]acetamide

C9H8Cl2N2OS — CID 12952276

IUPACN-[(2,6-dichlorophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl2N2OS/c1-5(14)12-9(15)13-8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyUJFXYUHNOWIUBF-UHFFFAOYSA-N
MW263.15 g/mol
LogP2.83
Rot. Bonds1

About N-[(2,6-dichlorophenyl)carbamothioyl]acetamide

N-[(2,6-dichlorophenyl)carbamothioyl]acetamide (PubChem CID 12952276) has the molecular formula C9H8Cl2N2OS and a molecular weight of 263.15 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)carbamothioyl]acetamide
PubChem CID12952276
Molecular FormulaC9H8Cl2N2OS
Molecular Weight263.15 g/mol
Exact Mass261.97
IUPAC NameN-[(2,6-dichlorophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl2N2OS/c1-5(14)12-9(15)13-8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyUJFXYUHNOWIUBF-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 52.83
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

methyl 4-[(2,6-dichlorophenyl)carbamothioylamino]-4-oxobutanoate
CID 54785946
N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 54786198
(2,6-dichlorophenyl)thiourea
CID 722776
N-[(2,6-dichlorophenyl)carbamothioyl]-4-ethoxybenzamide
CID 54785843
methyl N-[(1R)-2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]carbamate
CID 2301609
2-(2,6-dichloroanilino)-2-sulfanylideneacetamide
CID 98040700
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463
4-tert-butyl-N-[(2-chloro-6-methylphenyl)carbamothioyl]benzamide
CID 53371904
1,1-dimethyl-3-[2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]urea
CID 3091296
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(2,6-dichlorophenyl)carbamothioyl]acetamide (CID 12952276) is N-[(2,6-dichlorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)carbamothioyl]acetamide?
The InChIKey is UJFXYUHNOWIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2OS/c1-5(14)12-9(15)13-8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of N-[(2,6-dichlorophenyl)carbamothioyl]acetamide?
N-[(2,6-dichlorophenyl)carbamothioyl]acetamide has a molecular weight of 263.15 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 12952276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).