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

C10H8ClNOS2 — CID 22343

IUPAC3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1SC(=S)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKeyIBWJXVVIEGGYGU-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.09
Rot. Bonds1

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

3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 22343) has the molecular formula C10H8ClNOS2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID22343
Molecular FormulaC10H8ClNOS2
Molecular Weight257.77 g/mol
Exact Mass256.97
IUPAC Name3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1SC(=S)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKeyIBWJXVVIEGGYGU-UHFFFAOYSA-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

N-Phenylrhodanine
CID 73822
3-Decoxypropanenitrile
CID 99466
Rhodanine, 3-(m-chlorophenyl)-
CID 99599
3-(3,4-Dichlorophenyl)-1,3-thiazolidin-4-one
CID 4585437
Rhodanine, 3-(4-chlorophenyl)-
CID 83070
5-Methyl-3-phenyl-2-thioxo-4-thiazolidinone
CID 98329
3-[4-(Dimethylamino)phenyl]-5-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 2919611
3-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 1475313
Rhodanine, 3-(4-chloro-m-tolyl)-
CID 73140
Rhodanine, 3-(p-chlorophenyl)-5-ethyl-
CID 97727
p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(p-chlorophenyl)-
CID 212555
S-{2-[(4-chlorophenyl)amino]-2-oxoethyl} thiocarbamate
CID 873475

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 22343) is 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is CC1SC(=S)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is IBWJXVVIEGGYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(4-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 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 22343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).