4H-thieno[3,2-c]chromene

C11H8OS — CID 66868333

IUPAC4H-thieno[3,2-c]chromene
SMILESc1ccc2c(c1)OCc1ccsc1-2
InChIInChI=1S/C11H8OS/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-6H,7H2
InChIKeyRKKRFHATXGHKTE-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.31
Rot. Bonds

About 4H-thieno[3,2-c]chromene

4H-thieno[3,2-c]chromene (PubChem CID 66868333) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is 4H-thieno[3,2-c]chromene.

Molecular Properties

Compound Name4H-thieno[3,2-c]chromene
PubChem CID66868333
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name4H-thieno[3,2-c]chromene
SMILESc1ccc2c(c1)OCc1ccsc1-2
InChIInChI=1S/C11H8OS/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-6H,7H2
InChIKeyRKKRFHATXGHKTE-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-c]chromene?
The IUPAC name of 4H-thieno[3,2-c]chromene (CID 66868333) is 4H-thieno[3,2-c]chromene.
What is the SMILES notation for 4H-thieno[3,2-c]chromene?
The canonical SMILES for 4H-thieno[3,2-c]chromene is c1ccc2c(c1)OCc1ccsc1-2.
What is the InChIKey of 4H-thieno[3,2-c]chromene?
The InChIKey is RKKRFHATXGHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-6H,7H2.
What are the key properties of 4H-thieno[3,2-c]chromene?
4H-thieno[3,2-c]chromene has a molecular weight of 188.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-c]chromene is sourced from PubChem (CID 66868333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).