6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one

C15H12O4S2 — CID 91495761

IUPAC6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one
SMILESCOc1c2ccoc2cc2occ(C3SCCS3)c(=O)c12
InChIInChI=1S/C15H12O4S2/c1-17-14-8-2-3-18-10(8)6-11-12(14)13(16)9(7-19-11)15-20-4-5-21-15/h2-3,6-7,15H,4-5H2,1H3
InChIKeyQYROUSJKJLKHAA-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.03
Rot. Bonds2

About 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one

6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one (PubChem CID 91495761) has the molecular formula C15H12O4S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one
PubChem CID91495761
Molecular FormulaC15H12O4S2
Molecular Weight320.39 g/mol
Exact Mass320.02
IUPAC Name6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one
SMILESCOc1c2ccoc2cc2occ(C3SCCS3)c(=O)c12
InChIInChI=1S/C15H12O4S2/c1-17-14-8-2-3-18-10(8)6-11-12(14)13(16)9(7-19-11)15-20-4-5-21-15/h2-3,6-7,15H,4-5H2,1H3
InChIKeyQYROUSJKJLKHAA-UHFFFAOYSA-N
XLogP4.03
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-5-oxofuro[3,2-g]chromene-6-sulfinic acid
CID 101182134
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
CID 54718203
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
4-methoxy-5-methyl-1-benzofuran
CID 22940027
6-chlorofuro[3,2-g]chromen-5-one
CID 71410353
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 90014454
[4-(5,7-diacetyloxy-6-methoxy-4-oxochromen-3-yl)phenyl] acetate
CID 162915533
4,5-dimethylfuro[3,2-g]chromen-7-one
CID 22367452
furo[2,3-c]pyran-5-one
CID 138455198

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one?
The IUPAC name of 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one (CID 91495761) is 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one.
What is the SMILES notation for 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one?
The canonical SMILES for 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one is COc1c2ccoc2cc2occ(C3SCCS3)c(=O)c12.
What is the InChIKey of 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one?
The InChIKey is QYROUSJKJLKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4S2/c1-17-14-8-2-3-18-10(8)6-11-12(14)13(16)9(7-19-11)15-20-4-5-21-15/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one?
6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one has a molecular weight of 320.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dithiolan-2-yl)-4-methoxyfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 91495761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).