2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene

C18H18OS2 — CID 141103662

IUPAC2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene
SMILESc1ccc2c(c1)CCC(OC1CCc3ccccc3S1)S2
InChIInChI=1S/C18H18OS2/c1-3-7-15-13(5-1)9-11-17(20-15)19-18-12-10-14-6-2-4-8-16(14)21-18/h1-8,17-18H,9-12H2
InChIKeyPXVOREVDXAXTJV-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.13
Rot. Bonds2

About 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene

2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene (PubChem CID 141103662) has the molecular formula C18H18OS2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene
PubChem CID141103662
Molecular FormulaC18H18OS2
Molecular Weight314.47 g/mol
Exact Mass314.08
IUPAC Name2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene
SMILESc1ccc2c(c1)CCC(OC1CCc3ccccc3S1)S2
InChIInChI=1S/C18H18OS2/c1-3-7-15-13(5-1)9-11-17(20-15)19-18-12-10-14-6-2-4-8-16(14)21-18/h1-8,17-18H,9-12H2
InChIKeyPXVOREVDXAXTJV-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene (CID 141103662) is 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene is c1ccc2c(c1)CCC(OC1CCc3ccccc3S1)S2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene?
The InChIKey is PXVOREVDXAXTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS2/c1-3-7-15-13(5-1)9-11-17(20-15)19-18-12-10-14-6-2-4-8-16(14)21-18/h1-8,17-18H,9-12H2.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene?
2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene has a molecular weight of 314.47 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-2-yloxy)-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 141103662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).