(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione

C11H13NOS2 — CID 56935285

IUPAC(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione
SMILESOCCN1C(=S)SC[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NOS2/c13-7-6-12-10(8-15-11(12)14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyUKNFCESXDAIKAL-SNVBAGLBSA-N
MW239.36 g/mol
LogP2.05
Rot. Bonds3

About (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione

(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione (PubChem CID 56935285) has the molecular formula C11H13NOS2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione
PubChem CID56935285
Molecular FormulaC11H13NOS2
Molecular Weight239.36 g/mol
Exact Mass239.04
IUPAC Name(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione
SMILESOCCN1C(=S)SC[C@@H]1c1ccccc1
InChIInChI=1S/C11H13NOS2/c13-7-6-12-10(8-15-11(12)14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyUKNFCESXDAIKAL-SNVBAGLBSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione
CID 1365840
3-benzyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
CID 15366955
2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
CID 11121219
2-[(2R,4S,6R)-2-methyl-4,6-diphenylpiperidin-1-yl]ethanol
CID 11392285
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
11-phenyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 10824654
2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
CID 129498083
[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] cyclopentanecarboxylate
CID 7699247
1-[(2S,3aR,8aS)-4-(2-hydroxyethyl)-2-phenyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110137379
4-(3-phenylazetidin-1-yl)butan-1-ol
CID 106844153

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione?
The IUPAC name of (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione (CID 56935285) is (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione is OCCN1C(=S)SC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione?
The InChIKey is UKNFCESXDAIKAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NOS2/c13-7-6-12-10(8-15-11(12)14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1.
What are the key properties of (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione?
(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione has a molecular weight of 239.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 56935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).