(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite

C12H7ClO2S2 — CID 174797485

IUPAC(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite
SMILESO=c1c2c(oc3ccccc13)C=CC(SCl)S2
InChIInChI=1S/C12H7ClO2S2/c13-17-10-6-5-9-12(16-10)11(14)7-3-1-2-4-8(7)15-9/h1-6,10H
InChIKeyBDKBNEBTKNMQMB-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.12
Rot. Bonds1

About (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite

(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite (PubChem CID 174797485) has the molecular formula C12H7ClO2S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite.

Molecular Properties

Compound Name(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite
PubChem CID174797485
Molecular FormulaC12H7ClO2S2
Molecular Weight282.77 g/mol
Exact Mass281.96
IUPAC Name(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite
SMILESO=c1c2c(oc3ccccc13)C=CC(SCl)S2
InChIInChI=1S/C12H7ClO2S2/c13-17-10-6-5-9-12(16-10)11(14)7-3-1-2-4-8(7)15-9/h1-6,10H
InChIKeyBDKBNEBTKNMQMB-UHFFFAOYSA-N
XLogP4.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174831002
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formyl 2-methylbenzoate;2H-thiopyrano[3,2-b]chromen-10-one
CID 174828124
1-propan-2-ylsulfanylxanthen-9-one
CID 67242619
1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
CID 174814629
propane;xanthen-9-one
CID 90876458
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
CID 174839518
4-ethylxanthen-9-one
CID 15075530
4-chloro-3-(1,3-dioxolan-2-yl)chromen-2-one
CID 130761207
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672

Frequently Asked Questions

What is the IUPAC name of (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite?
The IUPAC name of (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite (CID 174797485) is (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite.
What is the SMILES notation for (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite?
The canonical SMILES for (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite is O=c1c2c(oc3ccccc13)C=CC(SCl)S2.
What is the InChIKey of (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite?
The InChIKey is BDKBNEBTKNMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO2S2/c13-17-10-6-5-9-12(16-10)11(14)7-3-1-2-4-8(7)15-9/h1-6,10H.
What are the key properties of (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite?
(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite has a molecular weight of 282.77 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite is sourced from PubChem (CID 174797485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).