N-[(2,4-dichlorobenzoyl)amino]carbamodithioate

C8H5Cl2N2OS2- — CID 135747047

IUPACN-[(2,4-dichlorobenzoyl)amino]carbamodithioate
SMILESO=C(NNC(=S)[S-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2OS2/c9-4-1-2-5(6(10)3-4)7(13)11-12-8(14)15/h1-3H,(H,11,13)(H2,12,14,15)/p-1
InChIKeyCNRZPOAVBYGDOL-UHFFFAOYSA-M
MW280.18 g/mol
LogP2.06
Rot. Bonds1

About N-[(2,4-dichlorobenzoyl)amino]carbamodithioate

N-[(2,4-dichlorobenzoyl)amino]carbamodithioate (PubChem CID 135747047) has the molecular formula C8H5Cl2N2OS2- and a molecular weight of 280.18 g/mol. Its IUPAC name is N-[(2,4-dichlorobenzoyl)amino]carbamodithioate.

Molecular Properties

Compound NameN-[(2,4-dichlorobenzoyl)amino]carbamodithioate
PubChem CID135747047
Molecular FormulaC8H5Cl2N2OS2-
Molecular Weight280.18 g/mol
Exact Mass278.92
IUPAC NameN-[(2,4-dichlorobenzoyl)amino]carbamodithioate
SMILESO=C(NNC(=S)[S-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2OS2/c9-4-1-2-5(6(10)3-4)7(13)11-12-8(14)15/h1-3H,(H,11,13)(H2,12,14,15)/p-1
InChIKeyCNRZPOAVBYGDOL-UHFFFAOYSA-M
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
CID 134094710
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 13329340
methyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylcarbamoyl]benzoate
CID 17178688
2-(4-chlorophenyl)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]acetamide
CID 4937082
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
2,4-dichloro-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3508978
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729935

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorobenzoyl)amino]carbamodithioate?
The IUPAC name of N-[(2,4-dichlorobenzoyl)amino]carbamodithioate (CID 135747047) is N-[(2,4-dichlorobenzoyl)amino]carbamodithioate.
What is the SMILES notation for N-[(2,4-dichlorobenzoyl)amino]carbamodithioate?
The canonical SMILES for N-[(2,4-dichlorobenzoyl)amino]carbamodithioate is O=C(NNC(=S)[S-])c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorobenzoyl)amino]carbamodithioate?
The InChIKey is CNRZPOAVBYGDOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6Cl2N2OS2/c9-4-1-2-5(6(10)3-4)7(13)11-12-8(14)15/h1-3H,(H,11,13)(H2,12,14,15)/p-1.
What are the key properties of N-[(2,4-dichlorobenzoyl)amino]carbamodithioate?
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate has a molecular weight of 280.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorobenzoyl)amino]carbamodithioate is sourced from PubChem (CID 135747047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).