2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide

C6H10OS2 — CID 150085513

IUPAC2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide
SMILESO=S1CC1CCC1CS1
InChIInChI=1S/C6H10OS2/c7-9-4-6(9)2-1-5-3-8-5/h5-6H,1-4H2
InChIKeyDSDIPKGJYJYLCS-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.01
Rot. Bonds3

About 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide

2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide (PubChem CID 150085513) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide
PubChem CID150085513
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide
SMILESO=S1CC1CCC1CS1
InChIInChI=1S/C6H10OS2/c7-9-4-6(9)2-1-5-3-8-5/h5-6H,1-4H2
InChIKeyDSDIPKGJYJYLCS-UHFFFAOYSA-N
XLogP1.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-[2-(thiiran-2-yl)ethyl]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

Related Compounds

2-Butylthiirane 1-oxide
CID 86185532
2-[2-(Thiiran-2-yl)ethyl]thiirane
CID 87691933
2-(Thiiran-2-ylmethyl)thiirane 1-oxide
CID 150057657
2-[3-(3-Methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide
CID 150079382
2-[[3-(Thiiran-2-yl)thiiran-2-yl]methyl]thiirane 1-oxide
CID 150402232
2-[(3-Methylthiiran-2-yl)methyl]thiirane 1-oxide
CID 150681285
2-(3-Methylthiiran-2-yl)thiirane 1-oxide
CID 150711164
2-[3-(Thiiran-2-ylmethyl)thiiran-2-yl]thiirane 1-oxide
CID 151266161
2-(3-Propylthiiran-2-yl)thiirane 1-oxide
CID 151331835
2-[(3-Ethylthiiran-2-yl)methyl]thiirane 1-oxide
CID 151408449
2-Methyl-3-[(3-methylthiiran-2-yl)methyl]thiirane 1-oxide
CID 151558532
2-[3-(Thiiran-2-yl)thiiran-2-yl]thiirane 1-oxide
CID 152272699

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide?
The IUPAC name of 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide (CID 150085513) is 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide.
What is the SMILES notation for 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide?
The canonical SMILES for 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide is O=S1CC1CCC1CS1.
What is the InChIKey of 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide?
The InChIKey is DSDIPKGJYJYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c7-9-4-6(9)2-1-5-3-8-5/h5-6H,1-4H2.
What are the key properties of 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide?
2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide has a molecular weight of 162.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiiran-2-yl)ethyl]thiirane 1-oxide is sourced from PubChem (CID 150085513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).