(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

C10H8ClNOS2 — CID 101352972

IUPAC(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC[C@@H]1SC(=S)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-5-3-2-4-7(8)11/h2-6H,1H3/t6-/m0/s1
InChIKeyLGUPLRAIWPKAKF-LURJTMIESA-N
MW257.77 g/mol
LogP3.09
Rot. Bonds1

About (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 101352972) has the molecular formula C10H8ClNOS2 and a molecular weight of 257.77 g/mol. Its IUPAC name is (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID101352972
Molecular FormulaC10H8ClNOS2
Molecular Weight257.77 g/mol
Exact Mass256.97
IUPAC Name(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC[C@@H]1SC(=S)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-5-3-2-4-7(8)11/h2-6H,1H3/t6-/m0/s1
InChIKeyLGUPLRAIWPKAKF-LURJTMIESA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 101352972) is (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is C[C@@H]1SC(=S)N(c2ccccc2Cl)C1=O.
What is the InChIKey of (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is LGUPLRAIWPKAKF-LURJTMIESA-N. The full InChI is InChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-5-3-2-4-7(8)11/h2-6H,1H3/t6-/m0/s1.
What are the key properties of (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 257.77 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 101352972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).