2-methyl-3H-1,2-thiazole 1,1-dioxide

C4H7NO2S — CID 118719355

IUPAC2-methyl-3H-1,2-thiazole 1,1-dioxide
SMILESCN1CC=CS1(=O)=O
InChIInChI=1S/C4H7NO2S/c1-5-3-2-4-8(5,6)7/h2,4H,3H2,1H3
InChIKeyMGRWDAVEFXSRQB-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.22
Rot. Bonds

About 2-methyl-3H-1,2-thiazole 1,1-dioxide

2-methyl-3H-1,2-thiazole 1,1-dioxide (PubChem CID 118719355) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-methyl-3H-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-3H-1,2-thiazole 1,1-dioxide
PubChem CID118719355
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name2-methyl-3H-1,2-thiazole 1,1-dioxide
SMILESCN1CC=CS1(=O)=O
InChIInChI=1S/C4H7NO2S/c1-5-3-2-4-8(5,6)7/h2,4H,3H2,1H3
InChIKeyMGRWDAVEFXSRQB-UHFFFAOYSA-N
XLogP-0.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2-thiazole 1,1-dioxide?
The IUPAC name of 2-methyl-3H-1,2-thiazole 1,1-dioxide (CID 118719355) is 2-methyl-3H-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 2-methyl-3H-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 2-methyl-3H-1,2-thiazole 1,1-dioxide is CN1CC=CS1(=O)=O.
What is the InChIKey of 2-methyl-3H-1,2-thiazole 1,1-dioxide?
The InChIKey is MGRWDAVEFXSRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-5-3-2-4-8(5,6)7/h2,4H,3H2,1H3.
What are the key properties of 2-methyl-3H-1,2-thiazole 1,1-dioxide?
2-methyl-3H-1,2-thiazole 1,1-dioxide has a molecular weight of 133.17 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 118719355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).