3,4-Methylenedioxybenzylthio-acetic acid

HCID 178526167
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Basic information

Standard SMILES
OC(=S)CCc1ccc2c(c1)OCO2
InChIKey
ZGDVNILDUDTOLK-UHFFFAOYSA-N
Molecular formula
C10H10O3S
Average molar mass
210.25 g/mol
Monoisotopic mass
210.03506535

Names & identifiers

Preferred name
3,4-Methylenedioxybenzylthio-acetic acid
IUPAC
3-(1,3-benzodioxol-5-yl)propanethioic S-acid

Names & synonyms

SCHEMBL11269098ZGDVNILDUDTOLK-UHFFFAOYSA-N3,4-Methylenedioxybenzylthio-acetic acid

Database identifiers

PubChem CID
54545366

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
36.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

6 records
New reaction record

Linked notes

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