(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid

C12H13NO2S2 — CID 107774058

IUPAC(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC2(CCSc3ccccc32)N1
InChIInChI=1S/C12H13NO2S2/c14-11(15)9-7-17-12(13-9)5-6-16-10-4-2-1-3-8(10)12/h1-4,9,13H,5-7H2,(H,14,15)/t9-,12?/m1/s1
InChIKeyOKZYMQZCISAMRH-PKEIRNPWSA-N
MW267.37 g/mol
LogP2.12
Rot. Bonds1

About (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid

(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid (PubChem CID 107774058) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid
PubChem CID107774058
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC Name(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC2(CCSc3ccccc32)N1
InChIInChI=1S/C12H13NO2S2/c14-11(15)9-7-17-12(13-9)5-6-16-10-4-2-1-3-8(10)12/h1-4,9,13H,5-7H2,(H,14,15)/t9-,12?/m1/s1
InChIKeyOKZYMQZCISAMRH-PKEIRNPWSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid?
The IUPAC name of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid (CID 107774058) is (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid.
What is the SMILES notation for (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid?
The canonical SMILES for (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid is O=C(O)[C@H]1CSC2(CCSc3ccccc32)N1.
What is the InChIKey of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid?
The InChIKey is OKZYMQZCISAMRH-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H13NO2S2/c14-11(15)9-7-17-12(13-9)5-6-16-10-4-2-1-3-8(10)12/h1-4,9,13H,5-7H2,(H,14,15)/t9-,12?/m1/s1.
What are the key properties of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid?
(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid is sourced from PubChem (CID 107774058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).