Biuret, 1-(p-methoxyphenyl)-2,4-dithio-

HCID 3033144

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Basic information

CAS: 57494-95-8
Standard SMILES: COc1ccc(NC(=S)NC(N)=S)cc1
InChIKey: HWODISAUIHCFDB-UHFFFAOYSA-N
Molecular formula: C9H11N3OS2
Average molar mass: 241.3 g/mol
Monoisotopic mass: 241.03435433

Names & identifiers

Preferred name: Biuret, 1-(p-methoxyphenyl)-2,4-dithio-
IUPAC: 1-carbamothioyl-3-(4-methoxyphenyl)thiourea

Names & synonyms

RD1145BIURET, 1-(p-METHOXYPHENYL)-2,4-DITHIO-1-(p-Methoxyphenyl)-2,4-dithiobiuretBRN 280966257494-95-8Thioimidodicarbonic diamide, N-(4-methoxyphenyl)-DTXSID202061034-13-00-01146 (Beilstein Handbook Reference)RefChem:329981DTXCID80128594N-(4-Methoxyphenyl)-2-imidodithiodicarbonic diamide

Database identifiers

CAS: 57494-95-8
PubChem CID: 3033144
DTXSID: DTXSID20206103

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 123 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 240

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