2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine

C10H11Cl2NO2S2 — CID 3152942

IUPAC2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO2S2/c1-17(14,15)13-4-5-16-10(13)8-3-2-7(11)6-9(8)12/h2-3,6,10H,4-5H2,1H3
InChIKeyXLQMDPFTWNTLQZ-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.00
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine

2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 3152942) has the molecular formula C10H11Cl2NO2S2 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID3152942
Molecular FormulaC10H11Cl2NO2S2
Molecular Weight312.24 g/mol
Exact Mass310.96
IUPAC Name2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO2S2/c1-17(14,15)13-4-5-16-10(13)8-3-2-7(11)6-9(8)12/h2-3,6,10H,4-5H2,1H3
InChIKeyXLQMDPFTWNTLQZ-UHFFFAOYSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine (CID 3152942) is 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine is CS(=O)(=O)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is XLQMDPFTWNTLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S2/c1-17(14,15)13-4-5-16-10(13)8-3-2-7(11)6-9(8)12/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 312.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3152942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).