Basic information
- CAS
21494-66-6- Standard SMILES
O=C1CSC(=S)N1CCCCCCN1C(=O)CSC1=S- InChIKey
SDPTXUTYVKLBKU-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.00946245
Names & identifiers
- Preferred name
- Rhodanine, 3,3'-hexamethylenedi-
- IUPAC
- 3-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
Rhodanine, 3,3'-hexamethylenedi-21494-66-63,3'-HexamethylenedirhodanineHexamethylenebisrhodanine4-thiazolidinone, 3,3'-(1,6-hexanediyl)bis[2-thioxo-N,N'-HexamethylenebisrhodanineBRN 1022559DTXSID401758223,3'-(1,6-Hexanediyl)bis(2-thioxo-4-thiazolidinone)4-Thiazolidinone, 3,3'-(1,6-hexanediyl)bis(2-thioxo-RefChem:379266DTXCID3098313
Show more names
4-Thiazolidinone, 3,3'-(1,6-hexanediyl)bis(2-thioxo-(9CI)F1074-00183-[6-(4-oxo-2-thioxo(1,3-thiazolidin-3-yl))hexyl]-2-thioxo-1,3-thiazolidin-4-o ne3-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one3,3'-(hexane-1,6-diyl)bis(2-thioxothiazolidin-4-one)HMS1652I16SMSSF-0063108SBB009648
Database identifiers
- CAS
21494-66-6- PubChem CID
- 210685
- DTXSID
DTXSID40175822- Nikkaji
- J1.515.236B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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