(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol

C13H16O2S — CID 104950092

IUPAC(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
SMILESO[C@@H]1CC2(CCCSC2)Oc2ccccc21
InChIInChI=1S/C13H16O2S/c14-11-8-13(6-3-7-16-9-13)15-12-5-2-1-4-10(11)12/h1-2,4-5,11,14H,3,6-9H2/t11-,13?/m1/s1
InChIKeyUZNWIHQOCHCKBU-JTDNENJMSA-N
MW236.34 g/mol
LogP2.77
Rot. Bonds

About (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol

(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol (PubChem CID 104950092) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol.

Molecular Properties

Compound Name(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
PubChem CID104950092
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
SMILESO[C@@H]1CC2(CCCSC2)Oc2ccccc21
InChIInChI=1S/C13H16O2S/c14-11-8-13(6-3-7-16-9-13)15-12-5-2-1-4-10(11)12/h1-2,4-5,11,14H,3,6-9H2/t11-,13?/m1/s1
InChIKeyUZNWIHQOCHCKBU-JTDNENJMSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol?
The IUPAC name of (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol (CID 104950092) is (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol.
What is the SMILES notation for (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol?
The canonical SMILES for (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol is O[C@@H]1CC2(CCCSC2)Oc2ccccc21.
What is the InChIKey of (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol?
The InChIKey is UZNWIHQOCHCKBU-JTDNENJMSA-N. The full InChI is InChI=1S/C13H16O2S/c14-11-8-13(6-3-7-16-9-13)15-12-5-2-1-4-10(11)12/h1-2,4-5,11,14H,3,6-9H2/t11-,13?/m1/s1.
What are the key properties of (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol?
(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol has a molecular weight of 236.34 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol is sourced from PubChem (CID 104950092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).