Basic information
- CAS
77208-07-2- Standard SMILES
CC(C)(COC(=O)CS)COC(=O)CS- InChIKey
OSYHEIYTVIDDPX-UHFFFAOYSA-N- Molecular formula
- C9H16O4S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.04900133
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)
- IUPAC
- [2,2-dimethyl-3-(2-sulfanylacetyl)oxypropyl] 2-sulfanylacetate
- English name
- 2,2-dimethyl-1,3-propanediyl bis(mercaptoacetate)
- Molecular formula
- C9H16O4S2
- Molecular weight
- 252.35
Names & synonyms
77208-07-22,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)[2,2-dimethyl-3-(2-sulfanylacetyl)oxypropyl] 2-sulfanylacetateFCG8772UE3NSC-65469NSC654692,2-dimethylpropane-1,3-diyl bis(sulfanylacetate)EINECS 278-641-2UNII-FCG8772UE3SCHEMBL98651DTXSID90227961OSYHEIYTVIDDPX-UHFFFAOYSA-N
Show more names
Bis(mercaptoacetic acid)2,2-dimethyl-1,3-propanediyl esterAcetic acid, mercapto-, 2,2-dimethyl-1,3-propanediyl ester (9CI)
NSC 65469NS00037891Acetic acid, mercapto-, 2,2-dimethyl-1,3-propanediyl ester[2,2-dimethyl-3-(2-sulfanylacetyl)oxy-propyl] 2-sulfanylacetate
Database identifiers
- CAS
77208-07-2- PubChem CID
- 96286
- DTXSID
DTXSID90227961- UNII
- FCG8772UE3
- EC Number
- 278-641-2
- Nikkaji
- J309.367K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- FDA UNII
- 8772 UE3 · FCG8772UE3
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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