N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide

C11H10Cl2N2OS — CID 833554

IUPACN-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-7-3-4-9(8(13)5-7)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
InChIKeyOTXOLUQWWJACCC-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.22
Rot. Bonds2

About N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 833554) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID833554
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC NameN-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-7-3-4-9(8(13)5-7)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
InChIKeyOTXOLUQWWJACCC-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.22
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

1-(2,4-Dichlorophenyl)-2-thiourea
CID 2746442
N-[[(2,3-Dichlorophenyl)amino]thioxomethyl]cyclopropanecarboxamide
CID 952267
N-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 1257250
N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 2198108
N-{[(2-chlorophenyl)carbamothioyl]amino}cyclopropanecarboxamide
CID 717997
N-[3-(acetylcarbamothioylamino)-4-chlorophenyl]propanamide
CID 894971
N-(2,4-dichlorophenyl)-N'-phenylthiourea
CID 800229
6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CID 821249
2-(cyclopropylcarbonyl)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
CID 717795
3-Acetyl-1-(4-chlorophenyl)thiourea
CID 880290
N-[4-chloro-3-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide
CID 891665
1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)thiourea
CID 976509

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide (CID 833554) is N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is OTXOLUQWWJACCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-7-3-4-9(8(13)5-7)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17).
What are the key properties of N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 289.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 833554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).