2-propan-2-ylthiirane

C5H10S — CID 14197234

IUPAC2-propan-2-ylthiirane
SMILESCC(C)C1CS1
InChIInChI=1S/C5H10S/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3
InChIKeyKJCWDNAAEQCJMY-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.76
Rot. Bonds1

About 2-propan-2-ylthiirane

2-propan-2-ylthiirane (PubChem CID 14197234) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 2-propan-2-ylthiirane.

Molecular Properties

Compound Name2-propan-2-ylthiirane
PubChem CID14197234
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name2-propan-2-ylthiirane
SMILESCC(C)C1CS1
InChIInChI=1S/C5H10S/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3
InChIKeyKJCWDNAAEQCJMY-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiirane?
The IUPAC name of 2-propan-2-ylthiirane (CID 14197234) is 2-propan-2-ylthiirane.
What is the SMILES notation for 2-propan-2-ylthiirane?
The canonical SMILES for 2-propan-2-ylthiirane is CC(C)C1CS1.
What is the InChIKey of 2-propan-2-ylthiirane?
The InChIKey is KJCWDNAAEQCJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3.
What are the key properties of 2-propan-2-ylthiirane?
2-propan-2-ylthiirane has a molecular weight of 102.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiirane is sourced from PubChem (CID 14197234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).