2-thiophen-2-yl-2H-chromene

C13H10OS — CID 90465977

IUPAC2-thiophen-2-yl-2H-chromene
SMILESC1=CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H10OS/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-9,12H
InChIKeyVLZDMAMUPLVGCT-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.89
Rot. Bonds1

About 2-thiophen-2-yl-2H-chromene

2-thiophen-2-yl-2H-chromene (PubChem CID 90465977) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-2H-chromene.

Molecular Properties

Compound Name2-thiophen-2-yl-2H-chromene
PubChem CID90465977
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name2-thiophen-2-yl-2H-chromene
SMILESC1=CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H10OS/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-9,12H
InChIKeyVLZDMAMUPLVGCT-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2H-chromene?
The IUPAC name of 2-thiophen-2-yl-2H-chromene (CID 90465977) is 2-thiophen-2-yl-2H-chromene.
What is the SMILES notation for 2-thiophen-2-yl-2H-chromene?
The canonical SMILES for 2-thiophen-2-yl-2H-chromene is C1=CC(c2cccs2)Oc2ccccc21.
What is the InChIKey of 2-thiophen-2-yl-2H-chromene?
The InChIKey is VLZDMAMUPLVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-9,12H.
What are the key properties of 2-thiophen-2-yl-2H-chromene?
2-thiophen-2-yl-2H-chromene has a molecular weight of 214.29 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2H-chromene is sourced from PubChem (CID 90465977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).