Thiacalix(4)arene structure

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

CAS: 7233-78-5
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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