sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide

C4H6NNaO2S2 — CID 169444389

IUPACsodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide
SMILESCS(=O)(=O)C1[N-]C=CS1.[Na+]
InChIInChI=1S/C4H6NO2S2.Na/c1-9(6,7)4-5-2-3-8-4;/h2-4H,1H3;/q-1;+1
InChIKeyCJNAFDQSWGMGIN-UHFFFAOYSA-N
MW187.22 g/mol
LogP-2.09
Rot. Bonds1

About sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide

sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide (PubChem CID 169444389) has the molecular formula C4H6NNaO2S2 and a molecular weight of 187.22 g/mol. Its IUPAC name is sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide.

Molecular Properties

Compound Namesodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide
PubChem CID169444389
Molecular FormulaC4H6NNaO2S2
Molecular Weight187.22 g/mol
Exact Mass186.97
IUPAC Namesodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide
SMILESCS(=O)(=O)C1[N-]C=CS1.[Na+]
InChIInChI=1S/C4H6NO2S2.Na/c1-9(6,7)4-5-2-3-8-4;/h2-4H,1H3;/q-1;+1
InChIKeyCJNAFDQSWGMGIN-UHFFFAOYSA-N
XLogP-2.09
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide?
The IUPAC name of sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide (CID 169444389) is sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide.
What is the SMILES notation for sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide?
The canonical SMILES for sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide is CS(=O)(=O)C1[N-]C=CS1.[Na+].
What is the InChIKey of sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide?
The InChIKey is CJNAFDQSWGMGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2S2.Na/c1-9(6,7)4-5-2-3-8-4;/h2-4H,1H3;/q-1;+1.
What are the key properties of sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide?
sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide has a molecular weight of 187.22 g/mol, XLogP of -2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylsulfonyl-2H-1,3-thiazol-3-ide is sourced from PubChem (CID 169444389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).