Basic information
- CAS
5721-31-3- Standard SMILES
CCCCCN(CCCCC)C(=S)SSC(=S)N(CCCCC)CCCCC- InChIKey
HDKVJYLPNIUCJJ-UHFFFAOYSA-N- Molecular formula
- C22H44N2S4
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.23873411
Names & identifiers
- Preferred name
- Tetrapentylthioperoxydicarbamic acid
- IUPAC
- dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate
Names & synonyms
5721-31-3Tetrapentylthioperoxydicarbamic acidSCHEMBL283865HDKVJYLPNIUCJJ-UHFFFAOYSA-NDTXSID001158193EINECS 227-225-9NS00047334Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,Na(2),Na(2)-tetrapentyl-
Database identifiers
- CAS
5721-31-3- PubChem CID
- 79800
- DTXSID
DTXSID001158193- EC Number
- 227-225-9
- Nikkaji
- J225.116G
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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