N-[(E)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]carbamimidothioic acid

AlkaPlorer ID: AK032238

Synonym: None

IUPAC Name: [(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea

Structure

SMILES: COC1=CC=C(C=NNC(=N)S)C=C1O

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InChI: InChI=1S/C9H11N3O2S/c1-14-8-3-2-6(4-7(8)13)5-11-12-9(10)15/h2-5,13H,1H3,(H3,10,12,15)

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InChIKey: ARINKVDYBABITQ-UHFFFAOYSA-N

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Reference

PubChem CID: 704492

CAS: 14453-26-0

NPASS: NPC197149

COCONUT: CNP0080094

Properties Information

Molecule Weight: 225.273

TPSA: 77.7

MolLogP: 1.1888699999999996

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information