Acetic acid, 2,2'-(methylenebis(thio))bis-
Basic information
- CAS
2068-24-8- Standard SMILES
O=C(O)CSCSCC(=O)O- InChIKey
CZEVAMMETWVBOD-UHFFFAOYSA-N- Molecular formula
- C5H8O4S2
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 195.98640108
Names & identifiers
- Preferred name
- Acetic acid, 2,2'-(methylenebis(thio))bis-
- IUPAC
- 2-(carboxymethylsulfanylmethylsulfanyl)acetic acid
- English name
- Methylenebis(thioacetic acid)
- Molecular formula
- C5H8O4S2
- Molecular weight
- 196.24
Names & synonyms
Acetic acid, 2,2'-[methylenebis(thio)]bis-Methylenebisthioglycolic acidAcetic acid, (methylenedithio)di-EINECS 218-189-5NSC 163488DTXSID7062164Acetic acid, 2,2'-(methylenebis(thio))bis-2,2'-(Methylenebis(thio))bisacetic acid2,2'-[methylenebis(thio)]bisacetic acidRefChem:552037DTXCID3036367218-189-5
Show more names
3,5-Dithiaheptanedioic acidMethylenebis(thioacetic acid)2,2'-(Methylenebis(sulfanediyl)Methylenebis(thioglycolicAcid)>METHYLENE BIS(MERCAPTOACETIC ACID)Methylenebis(thioacetic acid), 97+%α,α'-(Methylenebisthio)diacetic acid
2068-24-82,2'-(Methylenebis(sulfanediyl))diacetic acidMethylenedithiodiacetic acid2-(carboxymethylsulfanylmethylsulfanyl)acetic acid2,2'-[methylenebis(thio)]diacetic acidMethylenebis-(thioglycollic acid)MFCD000217662,2'-[Methylenebis(sulfanediyl)]diacetic acid
Database identifiers
- CAS
2068-24-8- PubChem CID
- 74949
- DTXSID
DTXSID7062164- EC Number
- 218-189-5
- Nikkaji
- J23.202E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 126 · 126-128 °C(Press: 0.1 Torr)
- Density
- 1.57 g/cm3 · 1.57 g/cm3
- form
- powder to crystal
- pka
- 1 · pK1:3.31;pK2:4.345 (18°C)
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 2068 · 2068-24-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Acetic acid, 2,2'-[methylenebis(thio)]bis- (2068-24-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- TSCA
- TSCA listed
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
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2,2'-[methylenebis(thio)]bis-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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