3,4,5-trimethyl-1,2-thiazole 1,1-dioxide

C6H9NO2S — CID 21366710

IUPAC3,4,5-trimethyl-1,2-thiazole 1,1-dioxide
SMILESCC1=NS(=O)(=O)C(C)=C1C
InChIInChI=1S/C6H9NO2S/c1-4-5(2)7-10(8,9)6(4)3/h1-3H3
InChIKeyAEBFAAGHTPYPTM-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.08
Rot. Bonds

About 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide

3,4,5-trimethyl-1,2-thiazole 1,1-dioxide (PubChem CID 21366710) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3,4,5-trimethyl-1,2-thiazole 1,1-dioxide
PubChem CID21366710
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3,4,5-trimethyl-1,2-thiazole 1,1-dioxide
SMILESCC1=NS(=O)(=O)C(C)=C1C
InChIInChI=1S/C6H9NO2S/c1-4-5(2)7-10(8,9)6(4)3/h1-3H3
InChIKeyAEBFAAGHTPYPTM-UHFFFAOYSA-N
XLogP1.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide (CID 21366710) is 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide is CC1=NS(=O)(=O)C(C)=C1C.
What is the InChIKey of 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide?
The InChIKey is AEBFAAGHTPYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4-5(2)7-10(8,9)6(4)3/h1-3H3.
What are the key properties of 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide?
3,4,5-trimethyl-1,2-thiazole 1,1-dioxide has a molecular weight of 159.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 21366710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).