2-ethyl-1,3,4-thiadiazolidine

C4H10N2S — CID 152758282

IUPAC2-ethyl-1,3,4-thiadiazolidine
SMILESCCC1NNCS1
InChIInChI=1S/C4H10N2S/c1-2-4-6-5-3-7-4/h4-6H,2-3H2,1H3
InChIKeySKMNDRUVEYQNIE-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.52
Rot. Bonds1

About 2-ethyl-1,3,4-thiadiazolidine

2-ethyl-1,3,4-thiadiazolidine (PubChem CID 152758282) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-ethyl-1,3,4-thiadiazolidine.

Molecular Properties

Compound Name2-ethyl-1,3,4-thiadiazolidine
PubChem CID152758282
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name2-ethyl-1,3,4-thiadiazolidine
SMILESCCC1NNCS1
InChIInChI=1S/C4H10N2S/c1-2-4-6-5-3-7-4/h4-6H,2-3H2,1H3
InChIKeySKMNDRUVEYQNIE-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,4-thiadiazolidine?
The IUPAC name of 2-ethyl-1,3,4-thiadiazolidine (CID 152758282) is 2-ethyl-1,3,4-thiadiazolidine.
What is the SMILES notation for 2-ethyl-1,3,4-thiadiazolidine?
The canonical SMILES for 2-ethyl-1,3,4-thiadiazolidine is CCC1NNCS1.
What is the InChIKey of 2-ethyl-1,3,4-thiadiazolidine?
The InChIKey is SKMNDRUVEYQNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-2-4-6-5-3-7-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-ethyl-1,3,4-thiadiazolidine?
2-ethyl-1,3,4-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,4-thiadiazolidine is sourced from PubChem (CID 152758282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).