(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione

C17H16N2O2S3 — CID 7731083

IUPAC(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione
SMILESCc1ccc(S(=O)(=O)N2C(=S)[C@H](C)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S3/c1-12-8-10-15(11-9-12)24(20,21)19-16(22)13(2)23-17(19)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3/b18-17-/t13-/m0/s1
InChIKeyGNYOTRZUNFNYDN-FKEVTRRJSA-N
MW376.53 g/mol
LogP4.14
Rot. Bonds3

About (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione

(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione (PubChem CID 7731083) has the molecular formula C17H16N2O2S3 and a molecular weight of 376.53 g/mol. Its IUPAC name is (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione
PubChem CID7731083
Molecular FormulaC17H16N2O2S3
Molecular Weight376.53 g/mol
Exact Mass376.04
IUPAC Name(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione
SMILESCc1ccc(S(=O)(=O)N2C(=S)[C@H](C)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S3/c1-12-8-10-15(11-9-12)24(20,21)19-16(22)13(2)23-17(19)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3/b18-17-/t13-/m0/s1
InChIKeyGNYOTRZUNFNYDN-FKEVTRRJSA-N
XLogP4.14
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4127444
5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine
CID 132515431
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 1391562
(4R)-4-bromo-5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazolidine
CID 102196509
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
CID 10937266
benzenesulfonate;tris(4-methylphenyl)sulfanium
CID 22481329
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione?
The IUPAC name of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione (CID 7731083) is (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione.
What is the SMILES notation for (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione?
The canonical SMILES for (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione is Cc1ccc(S(=O)(=O)N2C(=S)[C@H](C)S/C2=N\c2ccccc2)cc1.
What is the InChIKey of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione?
The InChIKey is GNYOTRZUNFNYDN-FKEVTRRJSA-N. The full InChI is InChI=1S/C17H16N2O2S3/c1-12-8-10-15(11-9-12)24(20,21)19-16(22)13(2)23-17(19)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3/b18-17-/t13-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione?
(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione has a molecular weight of 376.53 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione is sourced from PubChem (CID 7731083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).