3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid

C9H15NO2S2 — CID 110192146

IUPAC3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid
SMILESCC1(C)SC(C)(C)N(C=O)C1C(=O)S
InChIInChI=1S/C9H15NO2S2/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)
InChIKeyFILONIABJYOGRS-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.53
Rot. Bonds2

About 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid

3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid (PubChem CID 110192146) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid.

Molecular Properties

Compound Name3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid
PubChem CID110192146
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid
SMILESCC1(C)SC(C)(C)N(C=O)C1C(=O)S
InChIInChI=1S/C9H15NO2S2/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)
InChIKeyFILONIABJYOGRS-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid?
The IUPAC name of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid (CID 110192146) is 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid.
What is the SMILES notation for 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid?
The canonical SMILES for 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid is CC1(C)SC(C)(C)N(C=O)C1C(=O)S.
What is the InChIKey of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid?
The InChIKey is FILONIABJYOGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13).
What are the key properties of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid?
3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid has a molecular weight of 233.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid is sourced from PubChem (CID 110192146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).