2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide

C6H10OS2 — CID 150681285

IUPAC2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide
SMILESCC1SC1CC1CS1=O
InChIInChI=1S/C6H10OS2/c1-4-6(8-4)2-5-3-9(5)7/h4-6H,2-3H2,1H3
InChIKeyJHXSKDSKADAFHG-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.01
Rot. Bonds2

About 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide

2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide (PubChem CID 150681285) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide
PubChem CID150681285
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide
SMILESCC1SC1CC1CS1=O
InChIInChI=1S/C6H10OS2/c1-4-6(8-4)2-5-3-9(5)7/h4-6H,2-3H2,1H3
InChIKeyJHXSKDSKADAFHG-UHFFFAOYSA-N
XLogP1.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide 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-methylthiiran-2-yl)methyl]thiirane 1-oxide?
The IUPAC name of 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide (CID 150681285) is 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide.
What is the SMILES notation for 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide?
The canonical SMILES for 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide is CC1SC1CC1CS1=O.
What is the InChIKey of 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide?
The InChIKey is JHXSKDSKADAFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-4-6(8-4)2-5-3-9(5)7/h4-6H,2-3H2,1H3.
What are the key properties of 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide?
2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide has a molecular weight of 162.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide is sourced from PubChem (CID 150681285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).