Basic information
- CAS
182496-69-1- Standard SMILES
Oc1c2cccc1Sc1cccc(c1O)Sc1cccc(c1O)Sc1cccc(c1O)S2- InChIKey
DURXNMJYAJESOY-UHFFFAOYSA-N- Molecular formula
- C24H16O4S4
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 495.99314368
Overview
structure in first source
Names & identifiers
- Preferred name
- Thiacalix(4)arene
- IUPAC
- 2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
Names & synonyms
182496-69-1RefChem:932938Thiacalix(4)areneAGN-PC-0LP57K7233-78-5DTXSID10413203AKOS0267060052,4,6,8-Tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetraol25,26,27,28-tetrahydroxythiacalix [4]areneF1170-04272,4,6,8-Tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1~2~,3~2~,5~2~,7~2~-tetrol2,8,14,20-tetrathiapentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
Database identifiers
- CAS
182496-69-1、7233-78-5- PubChem CID
- 5249652
- DTXSID
DTXSID10413203- Nikkaji
- J946.439E
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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