Basic information
- CAS
94023-51-5- Standard SMILES
OCCNC(=S)SSC(=S)NCCO- InChIKey
OSMQUMZJDRKUIJ-UHFFFAOYSA-N- Molecular formula
- C6H12N2O2S4
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 271.97816232
Names & identifiers
- Preferred name
- N,N'-bis(2-hydroxyethyl)thioperoxydicarbamic acid
- IUPAC
- 2-hydroxyethylcarbamothioylsulfanyl N-(2-hydroxyethyl)carbamodithioate
Names & synonyms
94023-51-5N,N'-Bis(2-hydroxyethyl)thioperoxydicarbamic acidO4W6SW84JDEINECS 301-649-5NSC 14558NSC-14558UNII-O4W6SW84JDDisulfide, bis(2-hydroxyethylthiocarbamoyl)DTXSID90240312THIOPEROXYDICARBONIC DIAMIDE (((H2N)C(S))2S2), N,N'-BIS(2-HYDROXYETHYL)-Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N'-bis(2-hydroxyethyl)-RefChem:160938
Show more names
DTXCID90162803301-649-5NSC14558CHEMBL1230552-hydroxyethylcarbamothioylsulfanyl N-(2-hydroxyethyl)carbamodithioateThioperoxydicarbonic diamide, N,N'-bis(2-hydroxyethyl)-
Database identifiers
- CAS
94023-51-5- PubChem CID
- 3000620
- DTXSID
DTXSID90240312- ChEMBL
CHEMBL123055- UNII
- O4W6SW84JD
- EC Number
- 301-649-5
- Nikkaji
- J348.994I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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