1-thianthren-1-yloxythianthrene

C24H14OS4 — CID 167435101

IUPAC1-thianthren-1-yloxythianthrene
SMILESc1ccc2c(c1)Sc1cccc(Oc3cccc4c3Sc3ccccc3S4)c1S2
InChIInChI=1S/C24H14OS4/c1-3-11-19-17(9-1)26-21-13-5-7-15(23(21)28-19)25-16-8-6-14-22-24(16)29-20-12-4-2-10-18(20)27-22/h1-14H
InChIKeyDOFFUDNWQWGWMG-UHFFFAOYSA-N
MW446.64 g/mol
LogP8.71
Rot. Bonds2

About 1-thianthren-1-yloxythianthrene

1-thianthren-1-yloxythianthrene (PubChem CID 167435101) has the molecular formula C24H14OS4 and a molecular weight of 446.64 g/mol. Its IUPAC name is 1-thianthren-1-yloxythianthrene.

Molecular Properties

Compound Name1-thianthren-1-yloxythianthrene
PubChem CID167435101
Molecular FormulaC24H14OS4
Molecular Weight446.64 g/mol
Exact Mass445.99
IUPAC Name1-thianthren-1-yloxythianthrene
SMILESc1ccc2c(c1)Sc1cccc(Oc3cccc4c3Sc3ccccc3S4)c1S2
InChIInChI=1S/C24H14OS4/c1-3-11-19-17(9-1)26-21-13-5-7-15(23(21)28-19)25-16-8-6-14-22-24(16)29-20-12-4-2-10-18(20)27-22/h1-14H
InChIKeyDOFFUDNWQWGWMG-UHFFFAOYSA-N
XLogP8.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenoxathiin
CID 9217
(4-Phenoxyphenyl)-diphenylsulfanium
CID 4296458
1-Methoxythianthrene
CID 5081860
1-(Benzenesulfonyl)phenoxathiine 10,10-dioxide
CID 10595448
1-Methylsulfanylphenoxathiine 10,10-dioxide
CID 10755066
1-Phenylsulfanylphenoxathiine 10,10-dioxide
CID 10854648
Benzene, 1,1'-thiobis[3-phenoxy-
CID 81841
Benzene, 1-phenoxy-3-[[3-(phenylthio)phenyl]thio]-
CID 81842
Benzene, 1-phenoxy-3-(phenylthio)-
CID 81843
5-(4-Methoxyphenyl)thianthren-5-ium
CID 11144326
2-Phenoxyphenyl(phenyl)sulfane
CID 13262661
5-(4-Phenoxyphenyl)thianthren-5-ium
CID 59754814

Frequently Asked Questions

What is the IUPAC name of 1-thianthren-1-yloxythianthrene?
The IUPAC name of 1-thianthren-1-yloxythianthrene (CID 167435101) is 1-thianthren-1-yloxythianthrene.
What is the SMILES notation for 1-thianthren-1-yloxythianthrene?
The canonical SMILES for 1-thianthren-1-yloxythianthrene is c1ccc2c(c1)Sc1cccc(Oc3cccc4c3Sc3ccccc3S4)c1S2.
What is the InChIKey of 1-thianthren-1-yloxythianthrene?
The InChIKey is DOFFUDNWQWGWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14OS4/c1-3-11-19-17(9-1)26-21-13-5-7-15(23(21)28-19)25-16-8-6-14-22-24(16)29-20-12-4-2-10-18(20)27-22/h1-14H.
What are the key properties of 1-thianthren-1-yloxythianthrene?
1-thianthren-1-yloxythianthrene has a molecular weight of 446.64 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thianthren-1-yloxythianthrene is sourced from PubChem (CID 167435101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).