3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide

C22H14O4S2 — CID 10971532

IUPAC3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide
SMILESO=S1(=O)C2=C(C3c4ccccc4C2c2ccccc23)S(=O)(=O)c2ccccc21
InChIInChI=1S/C22H14O4S2/c23-27(24)17-11-5-6-12-18(17)28(25,26)22-20-14-8-2-1-7-13(14)19(21(22)27)15-9-3-4-10-16(15)20/h1-12,19-20H
InChIKeyCWIBFIIUQSDIPM-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.75
Rot. Bonds

About 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide

3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide (PubChem CID 10971532) has the molecular formula C22H14O4S2 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide.

Molecular Properties

Compound Name3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide
PubChem CID10971532
Molecular FormulaC22H14O4S2
Molecular Weight406.48 g/mol
Exact Mass406.03
IUPAC Name3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide
SMILESO=S1(=O)C2=C(C3c4ccccc4C2c2ccccc23)S(=O)(=O)c2ccccc21
InChIInChI=1S/C22H14O4S2/c23-27(24)17-11-5-6-12-18(17)28(25,26)22-20-14-8-2-1-7-13(14)19(21(22)27)15-9-3-4-10-16(15)20/h1-12,19-20H
InChIKeyCWIBFIIUQSDIPM-UHFFFAOYSA-N
XLogP3.75
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide with MolForge

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Related Compounds

3-oxa-11λ6-thiatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11,11-dioxide
CID 147206172
9lambda6,18lambda6-dithiapentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene 9,9,18,18-tetraoxide
CID 822348
1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine
CID 70590813
ethane;methane;2-methylidene-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
CID 160601575
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
CID 139088210
(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
CID 94848528
heptadecacyclo[22.14.6.65,20.69,16.628,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34.039,44.045,50.051,56.057,62]dohexaconta-2(23),4(21),6(19),8(17),10,12,14,25(38),27(36),29,31,33,39,41,43,45,47,49,51,53,55,57,59,61-tetracosaene-3,7,18,22,26,37-hexone
CID 72809601
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 4118963
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
(10,10-dioxo-9H-thioxanthen-9-yl)methyl 2,2-dimethylpropanoate
CID 167359990
3-(4-fluorophenyl)-11λ6-thiatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),2,5,7,9,12,14-heptaene 11,11-dioxide
CID 163716297
3-[3-(9-hydroxy-10,10-dioxo-9H-thioxanthen-3-yl)phenyl]-10,10-dioxo-9H-thioxanthen-9-ol
CID 123819802

Frequently Asked Questions

What is the IUPAC name of 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide?
The IUPAC name of 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide (CID 10971532) is 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide.
What is the SMILES notation for 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide?
The canonical SMILES for 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide is O=S1(=O)C2=C(C3c4ccccc4C2c2ccccc23)S(=O)(=O)c2ccccc21.
What is the InChIKey of 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide?
The InChIKey is CWIBFIIUQSDIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4S2/c23-27(24)17-11-5-6-12-18(17)28(25,26)22-20-14-8-2-1-7-13(14)19(21(22)27)15-9-3-4-10-16(15)20/h1-12,19-20H.
What are the key properties of 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide?
3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide has a molecular weight of 406.48 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3lambda6,10lambda6-dithiahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2(11),4,6,8,13,15,17,19,21,23-decaene 3,3,10,10-tetraoxide is sourced from PubChem (CID 10971532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).