5-oxo-6H-benzo[c]thiochromene-3,8-diol

C13H10O3S — CID 164598559

IUPAC5-oxo-6H-benzo[c]thiochromene-3,8-diol
SMILESO=S1Cc2cc(O)ccc2-c2ccc(O)cc21
InChIInChI=1S/C13H10O3S/c14-9-1-3-11-8(5-9)7-17(16)13-6-10(15)2-4-12(11)13/h1-6,14-15H,7H2
InChIKeyMKUVLVNXGMNUPD-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.39
Rot. Bonds

About 5-oxo-6H-benzo[c]thiochromene-3,8-diol

5-oxo-6H-benzo[c]thiochromene-3,8-diol (PubChem CID 164598559) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-oxo-6H-benzo[c]thiochromene-3,8-diol.

Molecular Properties

Compound Name5-oxo-6H-benzo[c]thiochromene-3,8-diol
PubChem CID164598559
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name5-oxo-6H-benzo[c]thiochromene-3,8-diol
SMILESO=S1Cc2cc(O)ccc2-c2ccc(O)cc21
InChIInChI=1S/C13H10O3S/c14-9-1-3-11-8(5-9)7-17(16)13-6-10(15)2-4-12(11)13/h1-6,14-15H,7H2
InChIKeyMKUVLVNXGMNUPD-UHFFFAOYSA-N
XLogP2.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-6H-benzo[c]thiochromene-3,8-diol?
The IUPAC name of 5-oxo-6H-benzo[c]thiochromene-3,8-diol (CID 164598559) is 5-oxo-6H-benzo[c]thiochromene-3,8-diol.
What is the SMILES notation for 5-oxo-6H-benzo[c]thiochromene-3,8-diol?
The canonical SMILES for 5-oxo-6H-benzo[c]thiochromene-3,8-diol is O=S1Cc2cc(O)ccc2-c2ccc(O)cc21.
What is the InChIKey of 5-oxo-6H-benzo[c]thiochromene-3,8-diol?
The InChIKey is MKUVLVNXGMNUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-9-1-3-11-8(5-9)7-17(16)13-6-10(15)2-4-12(11)13/h1-6,14-15H,7H2.
What are the key properties of 5-oxo-6H-benzo[c]thiochromene-3,8-diol?
5-oxo-6H-benzo[c]thiochromene-3,8-diol has a molecular weight of 246.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-6H-benzo[c]thiochromene-3,8-diol is sourced from PubChem (CID 164598559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).