tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane

C18H15O6PS3 — CID 86053872

IUPACtris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane
SMILESc1sc(P(c2scc3c2OCCO3)c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C18H15O6PS3/c1-4-22-13-10(19-1)7-26-16(13)25(17-14-11(8-27-17)20-2-5-23-14)18-15-12(9-28-18)21-3-6-24-15/h7-9H,1-6H2
InChIKeyRRSYKDNYIPOOEI-UHFFFAOYSA-N
MW454.49 g/mol
LogP2.94
Rot. Bonds3

About tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane

tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane (PubChem CID 86053872) has the molecular formula C18H15O6PS3 and a molecular weight of 454.49 g/mol. Its IUPAC name is tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane.

Molecular Properties

Compound Nametris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane
PubChem CID86053872
Molecular FormulaC18H15O6PS3
Molecular Weight454.49 g/mol
Exact Mass453.98
IUPAC Nametris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane
SMILESc1sc(P(c2scc3c2OCCO3)c2scc3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C18H15O6PS3/c1-4-22-13-10(19-1)7-26-16(13)25(17-14-11(8-27-17)20-2-5-23-14)18-15-12(9-28-18)21-3-6-24-15/h7-9H,1-6H2
InChIKeyRRSYKDNYIPOOEI-UHFFFAOYSA-N
XLogP2.94
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118281565
6-bromo-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
CID 96596041
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 11036713
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
CID 59696867
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol
CID 169454445
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid
CID 165490427
6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-enoic acid
CID 169461177
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 147519853
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719

Frequently Asked Questions

What is the IUPAC name of tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane?
The IUPAC name of tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane (CID 86053872) is tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane.
What is the SMILES notation for tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane?
The canonical SMILES for tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane is c1sc(P(c2scc3c2OCCO3)c2scc3c2OCCO3)c2c1OCCO2.
What is the InChIKey of tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane?
The InChIKey is RRSYKDNYIPOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O6PS3/c1-4-22-13-10(19-1)7-26-16(13)25(17-14-11(8-27-17)20-2-5-23-14)18-15-12(9-28-18)21-3-6-24-15/h7-9H,1-6H2.
What are the key properties of tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane?
tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane has a molecular weight of 454.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane is sourced from PubChem (CID 86053872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).