4,5-dimethylthiadiazolidine

C4H10N2S — CID 134377603

IUPAC4,5-dimethylthiadiazolidine
SMILESCC1NNSC1C
InChIInChI=1S/C4H10N2S/c1-3-4(2)7-6-5-3/h3-6H,1-2H3
InChIKeyOKNCEHSLLYITJP-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.52
Rot. Bonds

About 4,5-dimethylthiadiazolidine

4,5-dimethylthiadiazolidine (PubChem CID 134377603) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 4,5-dimethylthiadiazolidine.

Molecular Properties

Compound Name4,5-dimethylthiadiazolidine
PubChem CID134377603
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name4,5-dimethylthiadiazolidine
SMILESCC1NNSC1C
InChIInChI=1S/C4H10N2S/c1-3-4(2)7-6-5-3/h3-6H,1-2H3
InChIKeyOKNCEHSLLYITJP-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiadiazolidine?
The IUPAC name of 4,5-dimethylthiadiazolidine (CID 134377603) is 4,5-dimethylthiadiazolidine.
What is the SMILES notation for 4,5-dimethylthiadiazolidine?
The canonical SMILES for 4,5-dimethylthiadiazolidine is CC1NNSC1C.
What is the InChIKey of 4,5-dimethylthiadiazolidine?
The InChIKey is OKNCEHSLLYITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-3-4(2)7-6-5-3/h3-6H,1-2H3.
What are the key properties of 4,5-dimethylthiadiazolidine?
4,5-dimethylthiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiadiazolidine is sourced from PubChem (CID 134377603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).