2,3-di(propan-2-ylidene)thiirane

C8H12S — CID 10866424

IUPAC2,3-di(propan-2-ylidene)thiirane
SMILESCC(C)=C1SC1=C(C)C
InChIInChI=1S/C8H12S/c1-5(2)7-8(9-7)6(3)4/h1-4H3
InChIKeyJAFHPNNCJYIBFA-UHFFFAOYSA-N
MW140.25 g/mol
LogP3.32
Rot. Bonds

About 2,3-di(propan-2-ylidene)thiirane

2,3-di(propan-2-ylidene)thiirane (PubChem CID 10866424) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2,3-di(propan-2-ylidene)thiirane.

Molecular Properties

Compound Name2,3-di(propan-2-ylidene)thiirane
PubChem CID10866424
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2,3-di(propan-2-ylidene)thiirane
SMILESCC(C)=C1SC1=C(C)C
InChIInChI=1S/C8H12S/c1-5(2)7-8(9-7)6(3)4/h1-4H3
InChIKeyJAFHPNNCJYIBFA-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-di(propan-2-ylidene)thiirane 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 2,3-di(propan-2-ylidene)thiirane?
The IUPAC name of 2,3-di(propan-2-ylidene)thiirane (CID 10866424) is 2,3-di(propan-2-ylidene)thiirane.
What is the SMILES notation for 2,3-di(propan-2-ylidene)thiirane?
The canonical SMILES for 2,3-di(propan-2-ylidene)thiirane is CC(C)=C1SC1=C(C)C.
What is the InChIKey of 2,3-di(propan-2-ylidene)thiirane?
The InChIKey is JAFHPNNCJYIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-5(2)7-8(9-7)6(3)4/h1-4H3.
What are the key properties of 2,3-di(propan-2-ylidene)thiirane?
2,3-di(propan-2-ylidene)thiirane has a molecular weight of 140.25 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-ylidene)thiirane is sourced from PubChem (CID 10866424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).