hypochlorous acid;thiopyrano[2,3-b]indole

C11H8ClNOS — CID 159392688

IUPAChypochlorous acid;thiopyrano[2,3-b]indole
SMILESOCl.c1csc2nc3ccccc3c-2c1
InChIInChI=1S/C11H7NS.ClHO/c1-2-6-10-8(4-1)9-5-3-7-13-11(9)12-10;1-2/h1-7H;2H
InChIKeyLMHYTXYZVXLCTO-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.53
Rot. Bonds

About hypochlorous acid;thiopyrano[2,3-b]indole

hypochlorous acid;thiopyrano[2,3-b]indole (PubChem CID 159392688) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is hypochlorous acid;thiopyrano[2,3-b]indole.

Molecular Properties

Compound Namehypochlorous acid;thiopyrano[2,3-b]indole
PubChem CID159392688
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Namehypochlorous acid;thiopyrano[2,3-b]indole
SMILESOCl.c1csc2nc3ccccc3c-2c1
InChIInChI=1S/C11H7NS.ClHO/c1-2-6-10-8(4-1)9-5-3-7-13-11(9)12-10;1-2/h1-7H;2H
InChIKeyLMHYTXYZVXLCTO-UHFFFAOYSA-N
XLogP3.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;thiopyrano[2,3-b]indole?
The IUPAC name of hypochlorous acid;thiopyrano[2,3-b]indole (CID 159392688) is hypochlorous acid;thiopyrano[2,3-b]indole.
What is the SMILES notation for hypochlorous acid;thiopyrano[2,3-b]indole?
The canonical SMILES for hypochlorous acid;thiopyrano[2,3-b]indole is OCl.c1csc2nc3ccccc3c-2c1.
What is the InChIKey of hypochlorous acid;thiopyrano[2,3-b]indole?
The InChIKey is LMHYTXYZVXLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS.ClHO/c1-2-6-10-8(4-1)9-5-3-7-13-11(9)12-10;1-2/h1-7H;2H.
What are the key properties of hypochlorous acid;thiopyrano[2,3-b]indole?
hypochlorous acid;thiopyrano[2,3-b]indole has a molecular weight of 237.71 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;thiopyrano[2,3-b]indole is sourced from PubChem (CID 159392688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).