[2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite

C11H13ClO2S — CID 139640204

IUPAC[2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite
SMILESOCCC1CCc2cccc(SCl)c2O1
InChIInChI=1S/C11H13ClO2S/c12-15-10-3-1-2-8-4-5-9(6-7-13)14-11(8)10/h1-3,9,13H,4-7H2
InChIKeyJRRSJHNWVXOWIW-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.01
Rot. Bonds3

About [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite

[2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite (PubChem CID 139640204) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite
PubChem CID139640204
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name[2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite
SMILESOCCC1CCc2cccc(SCl)c2O1
InChIInChI=1S/C11H13ClO2S/c12-15-10-3-1-2-8-4-5-9(6-7-13)14-11(8)10/h1-3,9,13H,4-7H2
InChIKeyJRRSJHNWVXOWIW-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chroman-4-ol
CID 92890
(4S)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 7058027
3-methyl-3,4-dihydro-2H-1-benzopyran-4-ol
CID 11858753
(R)-4-Chromanol
CID 640695
3,4-Dihydro-8-methyl-2H-1-benzopyran-4-ol
CID 64981907
2-Methyl-4-chromanol
CID 378524
3,4-Dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 24267858
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
(3,4-dihydro-2H-1-benzopyran-8-yl)methanol
CID 84651870
8-Methyl-2,3-dihydro-1,4-benzoxathiine
CID 13513258
2,2-Dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
CID 84710266
2-(2-Hydroxyethyl)chroman
CID 22420297

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite?
The IUPAC name of [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite (CID 139640204) is [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite.
What is the SMILES notation for [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite?
The canonical SMILES for [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite is OCCC1CCc2cccc(SCl)c2O1.
What is the InChIKey of [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite?
The InChIKey is JRRSJHNWVXOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c12-15-10-3-1-2-8-4-5-9(6-7-13)14-11(8)10/h1-3,9,13H,4-7H2.
What are the key properties of [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite?
[2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite has a molecular weight of 244.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-8-yl] thiohypochlorite is sourced from PubChem (CID 139640204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).