Bis(2-ethylhexyl)carbamodithioic acid
Basic information
- CAS
77414-73-4- Standard SMILES
CCCCC(CC)CN(CC(CC)CCCC)C(=S)S- InChIKey
XJCMKFWIBWYYIB-UHFFFAOYSA-N- Molecular formula
- C17H35NS2
- Average molar mass
- 317.6 g/mol
- Monoisotopic mass
- 317.22109247
Names & identifiers
- Preferred name
- Bis(2-ethylhexyl)carbamodithioic acid
- IUPAC
- bis(2-ethylhexyl)carbamodithioic acid
Names & synonyms
bis(2-ethylhexyl)carbamodithioic acid77414-73-4SCHEMBL2190736DTXSID10275823bis(2-ethylhexyl)carbamodithioicacidN,N-Bis(2-ethylhexyl)carbamodithioic acid
Database identifiers
- CAS
77414-73-4- PubChem CID
- 85733
- DTXSID
DTXSID10275823- Nikkaji
- J1.081.315H
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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