Basic information
- CAS
6310-26-5- Standard SMILES
O=C(O)COC(=S)SCC(=O)O- InChIKey
LIJRJHLXNPYXJL-UHFFFAOYSA-N- Molecular formula
- C5H6O5S2
- Average molar mass
- 210.2 g/mol
- Monoisotopic mass
- 209.96566563
Names & identifiers
- Preferred name
- {[(Carboxymethoxy)carbothioyl]sulfanyl}acetic acid
- IUPAC
- 2-(carboxymethylsulfanylcarbothioyloxy)acetic acid
- English name
- 2-(carboxymethylsulfanylcarbothioyloxy)acetic acid
- Molecular formula
- C5H6O5S2
- Molecular weight
- 210.23
Names & synonyms
6310-26-5{[(carboxymethoxy)carbothioyl]sulfanyl}acetic acidNSC41553SCHEMBL31070065DTXSID50285365NSC 41553NSC-41553{[(Carboxymethoxy)carbonothioyl]sulfanyl}acetic acid2-(carboxymethylsulfanylcarbothioyloxy)acetic acidAcetic acid, [[(carboxymethoxy)thioxomethyl]thio]- (9CI)
Database identifiers
- CAS
6310-26-5- PubChem CID
- 237754
- DTXSID
DTXSID50285365- Nikkaji
- J24.115F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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