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

C15H12ClNO2S3 — CID 1365840

IUPAC(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C(=S)SC[C@@H]1c1ccccc1
InChIInChI=1S/C15H12ClNO2S3/c16-12-6-8-13(9-7-12)22(18,19)17-14(10-21-15(17)20)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-/m1/s1
InChIKeyVEUYKJCFTBNWPC-CQSZACIVSA-N
MW369.92 g/mol
LogP4.10
Rot. Bonds3

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

(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione (PubChem CID 1365840) has the molecular formula C15H12ClNO2S3 and a molecular weight of 369.92 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione
PubChem CID1365840
Molecular FormulaC15H12ClNO2S3
Molecular Weight369.92 g/mol
Exact Mass368.97
IUPAC Name(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C(=S)SC[C@@H]1c1ccccc1
InChIInChI=1S/C15H12ClNO2S3/c16-12-6-8-13(9-7-12)22(18,19)17-14(10-21-15(17)20)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-/m1/s1
InChIKeyVEUYKJCFTBNWPC-CQSZACIVSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione
CID 10428123
4-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzothiazepin-5-one
CID 102265160
4-(4-chlorophenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629597
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572
(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine
CID 142664123
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
3-(benzenesulfonyl)-8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591648
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione?
The IUPAC name of (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione (CID 1365840) is (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione is O=S(=O)(c1ccc(Cl)cc1)N1C(=S)SC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione?
The InChIKey is VEUYKJCFTBNWPC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12ClNO2S3/c16-12-6-8-13(9-7-12)22(18,19)17-14(10-21-15(17)20)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione?
(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione has a molecular weight of 369.92 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 1365840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).