N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide

C11H10Cl2N2OS — CID 952267

IUPACN-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-7-2-1-3-8(9(7)13)14-11(17)15-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,14,15,16,17)
InChIKeyWCQVLISTZJPTJV-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.22
Rot. Bonds2

About N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 952267) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID952267
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC NameN-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-7-2-1-3-8(9(7)13)14-11(17)15-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,14,15,16,17)
InChIKeyWCQVLISTZJPTJV-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide (CID 952267) is N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)Nc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is WCQVLISTZJPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-7-2-1-3-8(9(7)13)14-11(17)15-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,14,15,16,17).
What are the key properties of N-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2,3-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-[(2,3-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 952267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).