4-thiophen-2-yl-2H-thiochromene

C13H10S2 — CID 23273277

IUPAC4-thiophen-2-yl-2H-thiochromene
SMILESC1=C(c2cccs2)c2ccccc2SC1
InChIInChI=1S/C13H10S2/c1-2-5-12-10(4-1)11(7-9-15-12)13-6-3-8-14-13/h1-8H,9H2
InChIKeyZGTRZGLXJJXAEE-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.29
Rot. Bonds1

About 4-thiophen-2-yl-2H-thiochromene

4-thiophen-2-yl-2H-thiochromene (PubChem CID 23273277) has the molecular formula C13H10S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-thiophen-2-yl-2H-thiochromene.

Molecular Properties

Compound Name4-thiophen-2-yl-2H-thiochromene
PubChem CID23273277
Molecular FormulaC13H10S2
Molecular Weight230.36 g/mol
Exact Mass230.02
IUPAC Name4-thiophen-2-yl-2H-thiochromene
SMILESC1=C(c2cccs2)c2ccccc2SC1
InChIInChI=1S/C13H10S2/c1-2-5-12-10(4-1)11(7-9-15-12)13-6-3-8-14-13/h1-8H,9H2
InChIKeyZGTRZGLXJJXAEE-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-2H-thiochromene?
The IUPAC name of 4-thiophen-2-yl-2H-thiochromene (CID 23273277) is 4-thiophen-2-yl-2H-thiochromene.
What is the SMILES notation for 4-thiophen-2-yl-2H-thiochromene?
The canonical SMILES for 4-thiophen-2-yl-2H-thiochromene is C1=C(c2cccs2)c2ccccc2SC1.
What is the InChIKey of 4-thiophen-2-yl-2H-thiochromene?
The InChIKey is ZGTRZGLXJJXAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S2/c1-2-5-12-10(4-1)11(7-9-15-12)13-6-3-8-14-13/h1-8H,9H2.
What are the key properties of 4-thiophen-2-yl-2H-thiochromene?
4-thiophen-2-yl-2H-thiochromene has a molecular weight of 230.36 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-2H-thiochromene is sourced from PubChem (CID 23273277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).