2-(thiiran-2-ylmethyl)thiirane 1-oxide

C5H8OS2 — CID 150057657

IUPAC2-(thiiran-2-ylmethyl)thiirane 1-oxide
SMILESO=S1CC1CC1CS1
InChIInChI=1S/C5H8OS2/c6-8-3-5(8)1-4-2-7-4/h4-5H,1-3H2
InChIKeyDMQFDAKDBQCPPJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP0.62
Rot. Bonds2

About 2-(thiiran-2-ylmethyl)thiirane 1-oxide

2-(thiiran-2-ylmethyl)thiirane 1-oxide (PubChem CID 150057657) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethyl)thiirane 1-oxide.

Molecular Properties

Compound Name2-(thiiran-2-ylmethyl)thiirane 1-oxide
PubChem CID150057657
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name2-(thiiran-2-ylmethyl)thiirane 1-oxide
SMILESO=S1CC1CC1CS1
InChIInChI=1S/C5H8OS2/c6-8-3-5(8)1-4-2-7-4/h4-5H,1-3H2
InChIKeyDMQFDAKDBQCPPJ-UHFFFAOYSA-N
XLogP0.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylsulfinylmethyl)thiirane
CID 91238392
2-[3-(3-Methylthiiran-2-yl)thiiran-2-yl]thiirane 1-oxide
CID 150079382
2-[2-(Thiiran-2-yl)ethyl]thiirane 1-oxide
CID 150085513
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
2-[2-(3-Methylthiiran-2-yl)ethyl]thiirane 1-oxide
CID 177706056

Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylmethyl)thiirane 1-oxide?
The IUPAC name of 2-(thiiran-2-ylmethyl)thiirane 1-oxide (CID 150057657) is 2-(thiiran-2-ylmethyl)thiirane 1-oxide.
What is the SMILES notation for 2-(thiiran-2-ylmethyl)thiirane 1-oxide?
The canonical SMILES for 2-(thiiran-2-ylmethyl)thiirane 1-oxide is O=S1CC1CC1CS1.
What is the InChIKey of 2-(thiiran-2-ylmethyl)thiirane 1-oxide?
The InChIKey is DMQFDAKDBQCPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c6-8-3-5(8)1-4-2-7-4/h4-5H,1-3H2.
What are the key properties of 2-(thiiran-2-ylmethyl)thiirane 1-oxide?
2-(thiiran-2-ylmethyl)thiirane 1-oxide has a molecular weight of 148.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethyl)thiirane 1-oxide is sourced from PubChem (CID 150057657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).