Carboxymethyl ethylxanthate
Basic information
- CAS
25554-84-1- Standard SMILES
CCOC(=S)SCC(=O)O- InChIKey
CZLONQRTHUAGMG-UHFFFAOYSA-N- Molecular formula
- C5H8O3S2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 179.99148646
Names & identifiers
- Preferred name
- Carboxymethyl ethylxanthate
- IUPAC
- 2-ethoxycarbothioylsulfanylacetic acid
- English name
- 2-(Ethoxythioxomethylthio)acetic acid
- Molecular formula
- C5H8O3S2
- Molecular weight
- 180.25
Names & synonyms
25554-84-1Carboxymethyl ethylxanthate2-((Ethoxycarbonothioyl)thio)acetic acidEthyl xanthogeneacetic acid((Ethoxythiomethyl)thio)acetic acidXanthic acid, ethyl-, carboxymethyl esterXanthic acid, ethyl-, ester with mercaptoacetic acidNSC 85743NSC-85743BRN 1771184Dithiocarbonic acid S-carboxymethyl O-ethyl esterH778OG3C6S
Show more names
ETHYLXANTHOGENACETIC ACIDWLN: SUYO2&S1VQCarbonic acid, dithio-(Ethoxycarbonothioylthio)acetic acid((ethoxycarbothioyl)thio)acetic acid2-(ethoxycarbothioylthio)acetic acid2-(Ethoxythioxomethylthio)acetic acid
Acetic acid, ((ethoxythioxomethyl)thio)-Acetic acid, [(ethoxythioxomethyl)thio]-Acetic acid, ((ethoxythiomethyl)thio)-Carbonic acid, dithio-, O-ethyl ester, S-ester with mercaptoacetic acidS-(Carboxymethyl) O-ethyl dithiocarbonateCARBONIC ACID, DITHIO-, S-CARBOXYMETHYL O-ETHYL ESTERDTXSID601802514-03-00-00611 (Beilstein Handbook Reference)
Database identifiers
- CAS
25554-84-1- PubChem CID
- 33055
- DTXSID
DTXSID60180251- ChEMBL
CHEMBL1446522- UNII
- H778OG3C6S
- EC Number
- 623-864-6
- Nikkaji
- J55.530D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 778 OG3C6S · H778OG3C6S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
H302 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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