2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one

C12H6Cl2O2S — CID 154133923

IUPAC2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccc(Cl)cc13)C=CC(Cl)S2
InChIInChI=1S/C12H6Cl2O2S/c13-6-1-2-8-7(5-6)11(15)12-9(16-8)3-4-10(14)17-12/h1-5,10H
InChIKeyDPSDUGKUPNOKCP-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.13
Rot. Bonds

About 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one

2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one (PubChem CID 154133923) has the molecular formula C12H6Cl2O2S and a molecular weight of 285.15 g/mol. Its IUPAC name is 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one.

Molecular Properties

Compound Name2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one
PubChem CID154133923
Molecular FormulaC12H6Cl2O2S
Molecular Weight285.15 g/mol
Exact Mass283.95
IUPAC Name2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccc(Cl)cc13)C=CC(Cl)S2
InChIInChI=1S/C12H6Cl2O2S/c13-6-1-2-8-7(5-6)11(15)12-9(16-8)3-4-10(14)17-12/h1-5,10H
InChIKeyDPSDUGKUPNOKCP-UHFFFAOYSA-N
XLogP4.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-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

(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
CID 102287339
dimethyl 7-chloro-9-oxoxanthene-2,3-dicarboxylate
CID 10688963
2-(6-chloro-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 102452624
6-chloro-2-methyl-4-oxochromene-3-carbothioic S-acid
CID 88751111
7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3802808
5-chloro-16-methyl-9,17-dioxa-12-thiatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one
CID 10566460
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2,3-dibenzoyl-7-chloroxanthen-9-one
CID 10646706
7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one
CID 15402191
7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2987108
6-chloro-2-(trifluoromethyl)chromen-4-one
CID 746049
4-(bromomethyl)-6-chlorochromen-2-one
CID 12936141

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one?
The IUPAC name of 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one (CID 154133923) is 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one.
What is the SMILES notation for 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one?
The canonical SMILES for 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one is O=c1c2c(oc3ccc(Cl)cc13)C=CC(Cl)S2.
What is the InChIKey of 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one?
The InChIKey is DPSDUGKUPNOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O2S/c13-6-1-2-8-7(5-6)11(15)12-9(16-8)3-4-10(14)17-12/h1-5,10H.
What are the key properties of 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one?
2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one has a molecular weight of 285.15 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-2H-thiopyrano[3,2-b]chromen-10-one is sourced from PubChem (CID 154133923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).