6,7-dithiophen-2-ylchromen-2-one

C17H10O2S2 — CID 89166420

IUPAC6,7-dithiophen-2-ylchromen-2-one
SMILESO=c1ccc2cc(-c3cccs3)c(-c3cccs3)cc2o1
InChIInChI=1S/C17H10O2S2/c18-17-6-5-11-9-12(15-3-1-7-20-15)13(10-14(11)19-17)16-4-2-8-21-16/h1-10H
InChIKeyDTLOFLHJNTZBER-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.25
Rot. Bonds2

About 6,7-dithiophen-2-ylchromen-2-one

6,7-dithiophen-2-ylchromen-2-one (PubChem CID 89166420) has the molecular formula C17H10O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6,7-dithiophen-2-ylchromen-2-one.

Molecular Properties

Compound Name6,7-dithiophen-2-ylchromen-2-one
PubChem CID89166420
Molecular FormulaC17H10O2S2
Molecular Weight310.40 g/mol
Exact Mass310.01
IUPAC Name6,7-dithiophen-2-ylchromen-2-one
SMILESO=c1ccc2cc(-c3cccs3)c(-c3cccs3)cc2o1
InChIInChI=1S/C17H10O2S2/c18-17-6-5-11-9-12(15-3-1-7-20-15)13(10-14(11)19-17)16-4-2-8-21-16/h1-10H
InChIKeyDTLOFLHJNTZBER-UHFFFAOYSA-N
XLogP5.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dithiophen-2-ylchromen-2-one?
The IUPAC name of 6,7-dithiophen-2-ylchromen-2-one (CID 89166420) is 6,7-dithiophen-2-ylchromen-2-one.
What is the SMILES notation for 6,7-dithiophen-2-ylchromen-2-one?
The canonical SMILES for 6,7-dithiophen-2-ylchromen-2-one is O=c1ccc2cc(-c3cccs3)c(-c3cccs3)cc2o1.
What is the InChIKey of 6,7-dithiophen-2-ylchromen-2-one?
The InChIKey is DTLOFLHJNTZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2S2/c18-17-6-5-11-9-12(15-3-1-7-20-15)13(10-14(11)19-17)16-4-2-8-21-16/h1-10H.
What are the key properties of 6,7-dithiophen-2-ylchromen-2-one?
6,7-dithiophen-2-ylchromen-2-one has a molecular weight of 310.40 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dithiophen-2-ylchromen-2-one is sourced from PubChem (CID 89166420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).