Acetic acid, 2,2'-(piperonylidenedithio)di-
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Basic information
- CAS
34914-27-7- Standard SMILES
O=C(O)CSC(SCC(=O)O)c1ccc2c(c1)OCO2- InChIKey
VNAYOZFFVJKRMJ-UHFFFAOYSA-N- Molecular formula
- C12H12O6S2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.00753045
Names & identifiers
- Preferred name
- Acetic acid, 2,2'-(piperonylidenedithio)di-
- IUPAC
- 2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acid
- English name
- 2,2'-[(1,3-Benzodioxol-5-ylmethylene)bis(thio)]bisacetic acid
- Molecular weight
- 0
Names & synonyms
34914-27-7(Piperonylidenedithio)diacetic acidACETIC ACID, 2,2'-(PIPERONYLIDENEDITHIO)DI-BRN 03235942,2'-(Piperonylidenedithio)diacetic acidDTXSID90188467PIPERONAL BIS(CARBOXYMETHYL) MERCAPTALRefChem:552039DTXCID20110958667-434-62,2'-[(1,3-Benzodioxol-5-ylmethylene)bis(thio)]bisacetic acidHMS542H13
Show more names
2-[1,3-benzodioxol-5-yl(carboxymethylsulfanyl)methyl]sulfanylacetic acidMaybridge1_000343SCHEMBL6231503CCG-56146AKOS0243354812-({2H-1,3-benzodioxol-5-yl[(carboxymethyl)sulfanyl]methyl}sulfanyl)acetic acidSR-01000645124-12,2'-{[(2H-1,3-Benzodioxol-5-yl)methylene]bis(sulfanediyl)}diacetic acid
Database identifiers
- CAS
34914-27-7- PubChem CID
- 36986
- DTXSID
DTXSID90188467- EC Number
- 667-434-6
- Nikkaji
- J54.965G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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