3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione

C10H10ClNOS2 — CID 122379571

IUPAC3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione
SMILESOC1CSC(=S)N1Cc1ccccc1Cl
InChIInChI=1S/C10H10ClNOS2/c11-8-4-2-1-3-7(8)5-12-9(13)6-15-10(12)14/h1-4,9,13H,5-6H2
InChIKeyRJRXLUQVEDXVQA-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.49
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione

3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione (PubChem CID 122379571) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione
PubChem CID122379571
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione
SMILESOC1CSC(=S)N1Cc1ccccc1Cl
InChIInChI=1S/C10H10ClNOS2/c11-8-4-2-1-3-7(8)5-12-9(13)6-15-10(12)14/h1-4,9,13H,5-6H2
InChIKeyRJRXLUQVEDXVQA-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.49
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

8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769607
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol
CID 166293998
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
3-[(2-chlorophenyl)methyl]-1,3-thiazole-2-thione
CID 117062780
1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
CID 64882792
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009445
6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236622
2-[(2-chlorophenyl)methyl]-4,6-dihydro-3aH-thieno[3,4-c]pyrazol-3-one
CID 83196260
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione (CID 122379571) is 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione is OC1CSC(=S)N1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione?
The InChIKey is RJRXLUQVEDXVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS2/c11-8-4-2-1-3-7(8)5-12-9(13)6-15-10(12)14/h1-4,9,13H,5-6H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione?
3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione has a molecular weight of 259.78 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione is sourced from PubChem (CID 122379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).