2-(5H-thiochromen-3-yl)-5H-chromene

C18H14OS — CID 91047660

IUPAC2-(5H-thiochromen-3-yl)-5H-chromene
SMILESC1=CCC2=CC=C(C3=CSC4=CC=CCC4=C3)OC2=C1
InChIInChI=1S/C18H14OS/c1-3-7-16-13(5-1)9-10-17(19-16)15-11-14-6-2-4-8-18(14)20-12-15/h1-4,7-12H,5-6H2
InChIKeyMLEGYGILTBLQFP-UHFFFAOYSA-N
MW278.38 g/mol
LogP5.07
Rot. Bonds1

About 2-(5H-thiochromen-3-yl)-5H-chromene

2-(5H-thiochromen-3-yl)-5H-chromene (PubChem CID 91047660) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(5H-thiochromen-3-yl)-5H-chromene.

Molecular Properties

Compound Name2-(5H-thiochromen-3-yl)-5H-chromene
PubChem CID91047660
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name2-(5H-thiochromen-3-yl)-5H-chromene
SMILESC1=CCC2=CC=C(C3=CSC4=CC=CCC4=C3)OC2=C1
InChIInChI=1S/C18H14OS/c1-3-7-16-13(5-1)9-10-17(19-16)15-11-14-6-2-4-8-18(14)20-12-15/h1-4,7-12H,5-6H2
InChIKeyMLEGYGILTBLQFP-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-Dihydrothiopyrano[4,3-b]pyran
CID 56609471
(4-Methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-lambda4-sulfane
CID 123876430

Frequently Asked Questions

What is the IUPAC name of 2-(5H-thiochromen-3-yl)-5H-chromene?
The IUPAC name of 2-(5H-thiochromen-3-yl)-5H-chromene (CID 91047660) is 2-(5H-thiochromen-3-yl)-5H-chromene.
What is the SMILES notation for 2-(5H-thiochromen-3-yl)-5H-chromene?
The canonical SMILES for 2-(5H-thiochromen-3-yl)-5H-chromene is C1=CCC2=CC=C(C3=CSC4=CC=CCC4=C3)OC2=C1.
What is the InChIKey of 2-(5H-thiochromen-3-yl)-5H-chromene?
The InChIKey is MLEGYGILTBLQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-3-7-16-13(5-1)9-10-17(19-16)15-11-14-6-2-4-8-18(14)20-12-15/h1-4,7-12H,5-6H2.
What are the key properties of 2-(5H-thiochromen-3-yl)-5H-chromene?
2-(5H-thiochromen-3-yl)-5H-chromene has a molecular weight of 278.38 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-thiochromen-3-yl)-5H-chromene is sourced from PubChem (CID 91047660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).