4-methyl-1,3-thiazolidine 1-oxide

C4H9NOS — CID 89045409

IUPAC4-methyl-1,3-thiazolidine 1-oxide
SMILESCC1CS(=O)CN1
InChIInChI=1S/C4H9NOS/c1-4-2-7(6)3-5-4/h4-5H,2-3H2,1H3
InChIKeyROHARWKOOINXJM-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.32
Rot. Bonds

About 4-methyl-1,3-thiazolidine 1-oxide

4-methyl-1,3-thiazolidine 1-oxide (PubChem CID 89045409) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 4-methyl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name4-methyl-1,3-thiazolidine 1-oxide
PubChem CID89045409
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name4-methyl-1,3-thiazolidine 1-oxide
SMILESCC1CS(=O)CN1
InChIInChI=1S/C4H9NOS/c1-4-2-7(6)3-5-4/h4-5H,2-3H2,1H3
InChIKeyROHARWKOOINXJM-UHFFFAOYSA-N
XLogP-0.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazolidine 1-oxide?
The IUPAC name of 4-methyl-1,3-thiazolidine 1-oxide (CID 89045409) is 4-methyl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 4-methyl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 4-methyl-1,3-thiazolidine 1-oxide is CC1CS(=O)CN1.
What is the InChIKey of 4-methyl-1,3-thiazolidine 1-oxide?
The InChIKey is ROHARWKOOINXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-4-2-7(6)3-5-4/h4-5H,2-3H2,1H3.
What are the key properties of 4-methyl-1,3-thiazolidine 1-oxide?
4-methyl-1,3-thiazolidine 1-oxide has a molecular weight of 119.19 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 89045409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).