[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide

C18H10O6S2 — CID 146334062

IUPAC[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)S(=O)(=O)c1ccccc1O3
InChIInChI=1S/C18H10O6S2/c19-25(20)15-7-3-1-5-11(15)23-13-9-14-18(10-17(13)25)26(21,22)16-8-4-2-6-12(16)24-14/h1-10H
InChIKeyGNKAWFXKOKSXME-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.56
Rot. Bonds

About [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide

[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide (PubChem CID 146334062) has the molecular formula C18H10O6S2 and a molecular weight of 386.41 g/mol. Its IUPAC name is [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide.

Molecular Properties

Compound Name[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide
PubChem CID146334062
Molecular FormulaC18H10O6S2
Molecular Weight386.41 g/mol
Exact Mass385.99
IUPAC Name[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide
SMILESO=S1(=O)c2ccccc2Oc2cc3c(cc21)S(=O)(=O)c1ccccc1O3
InChIInChI=1S/C18H10O6S2/c19-25(20)15-7-3-1-5-11(15)23-13-9-14-18(10-17(13)25)26(21,22)16-8-4-2-6-12(16)24-14/h1-10H
InChIKeyGNKAWFXKOKSXME-UHFFFAOYSA-N
XLogP3.56
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(10,10-dioxophenoxathiin-2-yl)ethane-1,1-diol
CID 67863693
5-methyl-6-propan-2-yl-2-oxa-9λ6,16λ6-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene 9,9,16,16-tetraoxide
CID 10788664
6-(2-methylbutan-2-yl)-2-oxa-9λ6,16λ6-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene 9,9,16,16-tetraoxide
CID 10670862
2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid
CID 54434206
1-methylphenoxathiine 10,10-dioxide
CID 10490634
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
1-propan-2-ylphenoxathiine 10,10-dioxide
CID 10731045
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
2-[5-(10,10-dioxophenoxathiin-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]phenoxathiine 10,10-dioxide
CID 130396372
6-bromo-19-butan-2-yl-2-oxa-9λ6,16λ6-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10,12,14,18,20-nonaene 9,9,16,16-tetraoxide
CID 10744203
10-hydroxy-8-iodo-12,12-dioxobenzo[c][2,5]benzoxathiocine-6,11-dione
CID 172505333
3-[3-(4,8-diphenylthieno[2,3-f][1]benzothiol-2-yl)phenyl]phenoxathiine 10,10-dioxide
CID 134595231

Frequently Asked Questions

What is the IUPAC name of [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide?
The IUPAC name of [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide (CID 146334062) is [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide.
What is the SMILES notation for [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide?
The canonical SMILES for [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide is O=S1(=O)c2ccccc2Oc2cc3c(cc21)S(=O)(=O)c1ccccc1O3.
What is the InChIKey of [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide?
The InChIKey is GNKAWFXKOKSXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6S2/c19-25(20)15-7-3-1-5-11(15)23-13-9-14-18(10-17(13)25)26(21,22)16-8-4-2-6-12(16)24-14/h1-10H.
What are the key properties of [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide?
[1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide has a molecular weight of 386.41 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]benzoxathiino[3,2-b]phenoxathiine 12,12,14,14-tetraoxide is sourced from PubChem (CID 146334062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).