1-(Carbamothioylamino)-3-(3,4-dichlorophenyl)urea

HCID 5215431

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Basic information

CAS: 6178-27-4
Standard SMILES: NC(=S)NNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIKey: YQLNXLZJSXZCFX-UHFFFAOYSA-N
Molecular formula: C8H8Cl2N4OS
Average molar mass: 279.15 g/mol
Monoisotopic mass: 277.9795875

Names & identifiers

Preferred name: 1-(Carbamothioylamino)-3-(3,4-dichlorophenyl)urea
IUPAC: 1-(carbamothioylamino)-3-(3,4-dichlorophenyl)urea

Names & synonyms

1-(carbamothioylamino)-3-(3,4-dichlorophenyl)urea6178-27-4CHEMBL1444619MLS000722305DTXSID50410579BDBM50278864AKOS002232553SMR000235938ST501128971-(3,4-DICHLOROPHENYL)-5-THIOBIUREASR-01000005234SR-01000005234-1

Show more names

F0227-01322-carbamothioyl-N-(3,4-dichlorophenyl)hydrazinecarboxamide2-carbamothioyl-N-(3,4-dichlorophenyl)hydrazine-1-carboxamide[2-(aminothioxomethyl)hydrazino]-N-(3,4-dichlorophenyl)carboxamide

Database identifiers

CAS: 6178-27-4
PubChem CID: 5215431
DTXSID: DTXSID50410579
ChEMBL: CHEMBL1444619

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 111 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 279

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