3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione

C10H11NO2S3 — CID 125492446

IUPAC3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione
SMILESCc1ccc(S(=O)(=O)N2CCSC2=S)cc1
InChIInChI=1S/C10H11NO2S3/c1-8-2-4-9(5-3-8)16(12,13)11-6-7-15-10(11)14/h2-5H,6-7H2,1H3
InChIKeyFMPNECNWXOJLIS-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.02
Rot. Bonds2

About 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione

3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione (PubChem CID 125492446) has the molecular formula C10H11NO2S3 and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione
PubChem CID125492446
Molecular FormulaC10H11NO2S3
Molecular Weight273.40 g/mol
Exact Mass273.00
IUPAC Name3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione
SMILESCc1ccc(S(=O)(=O)N2CCSC2=S)cc1
InChIInChI=1S/C10H11NO2S3/c1-8-2-4-9(5-3-8)16(12,13)11-6-7-15-10(11)14/h2-5H,6-7H2,1H3
InChIKeyFMPNECNWXOJLIS-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione (CID 125492446) is 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione is Cc1ccc(S(=O)(=O)N2CCSC2=S)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione?
The InChIKey is FMPNECNWXOJLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S3/c1-8-2-4-9(5-3-8)16(12,13)11-6-7-15-10(11)14/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione?
3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione has a molecular weight of 273.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 125492446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).