(2R)-2-ethynylthiirane

C4H4S — CID 173467872

IUPAC(2R)-2-ethynylthiirane
SMILESC#C[C@@H]1CS1
InChIInChI=1S/C4H4S/c1-2-4-3-5-4/h1,4H,3H2/t4-/m1/s1
InChIKeyAMFGUSPMYQPPQQ-SCSAIBSYSA-N
MW84.14 g/mol
LogP0.74
Rot. Bonds

About (2R)-2-ethynylthiirane

(2R)-2-ethynylthiirane (PubChem CID 173467872) has the molecular formula C4H4S and a molecular weight of 84.14 g/mol. Its IUPAC name is (2R)-2-ethynylthiirane.

Molecular Properties

Compound Name(2R)-2-ethynylthiirane
PubChem CID173467872
Molecular FormulaC4H4S
Molecular Weight84.14 g/mol
Exact Mass84.00
IUPAC Name(2R)-2-ethynylthiirane
SMILESC#C[C@@H]1CS1
InChIInChI=1S/C4H4S/c1-2-4-3-5-4/h1,4H,3H2/t4-/m1/s1
InChIKeyAMFGUSPMYQPPQQ-SCSAIBSYSA-N
XLogP0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-2-ethynylthiirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethynylthiirane?
The IUPAC name of (2R)-2-ethynylthiirane (CID 173467872) is (2R)-2-ethynylthiirane.
What is the SMILES notation for (2R)-2-ethynylthiirane?
The canonical SMILES for (2R)-2-ethynylthiirane is C#C[C@@H]1CS1.
What is the InChIKey of (2R)-2-ethynylthiirane?
The InChIKey is AMFGUSPMYQPPQQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H4S/c1-2-4-3-5-4/h1,4H,3H2/t4-/m1/s1.
What are the key properties of (2R)-2-ethynylthiirane?
(2R)-2-ethynylthiirane has a molecular weight of 84.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethynylthiirane is sourced from PubChem (CID 173467872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).