Thiacalix(4)arene
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
Also Known As: Thiacalix(4)arene|AGN-PC-0LP57K|25,26,27,28-tetrahydroxythiacalix [4]arene|F1170-0427|2,4,6,8-Tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1~2~,3~2~,5~2~,7~2~-tetrol|2,4,6,8-Tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetraol|2,6 -Thio-2 ,6 -thio-2 ,6 -thio-2 ,6-thiotetraphenol|2,8,14,20-Tetrathia-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol|2,8,14,20-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|2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol|2,8,14,20-Tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol|25,26,27,28-Tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
| Molecular Formula | C24H16O4S4 |
|---|---|
| Molecular Weight | 495.99313 g/mol |
| LogP | 7.4272 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 495.99313 |
| Monoisotopic Mass | 495.99313 |
| Heavy Atoms | 32 |
| Complexity | 1052.8807 |
Chemical Identifiers
| CAS Number | 7233-78-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)SC3=C(C(=CC=C3)SC4=CC=CC(=C4O)SC5=CC=CC(=C5O)S2)O)O |
Product Overview
Thiacalix(4)arene (CAS 7233-78-5), with molecular formula C24H16O4S4 and molecular weight 495.99313 g/mol. 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.
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