(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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Related Compounds

3-[2-(4-chlorophenyl)phenyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 175116134
[2-[[3-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]diazenyl]phenyl]arsonic acid
CID 102039635
3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione
CID 113416658
(15R,19R)-17-(2-chlorophenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 40573589
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4135812
(4-chlorophenyl)-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)mercury
CID 175156547
(1S,2R,6R,7S)-4-(2-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124720573
3-(2-chlorophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009998
(3aR,5R,6S,7aR)-5,6-dibromo-2-(2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7115541
1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
CID 160578438
5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one
CID 71342884
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704

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).