N-allyl-S-(3-carboxy-2-butenyl)thiouronium bromide

HCID 73607433
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Basic information

Standard SMILES
C=CC[NH+]=C(N)SCC=C(C)C(=O)O.[Br-]
InChIKey
CDUDUFXEBWMLLR-UHFFFAOYSA-N
Molecular formula
C9H15BrN2O2S
Average molar mass
295.2 g/mol

Names & identifiers

Preferred name
N-allyl-S-(3-carboxy-2-butenyl)thiouronium bromide
IUPAC
[amino(3-carboxybut-2-enylsulfanyl)methylidene]-prop-2-enylazanium bromide

Names & synonyms

SCHEMBL8997509CDUDUFXEBWMLLR-UHFFFAOYSA-NN-allyl-S-(3-carboxy-2-butenyl)thiouronium bromide

Database identifiers

PubChem CID
73607433

Properties

Computed structural properties

Topological polar surface area
103 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
15

Related reactions

1 records
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Linked notes

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