2-[4-(thiiran-2-yl)butyl]thiirane

C8H14S2 — CID 12666045

IUPAC2-[4-(thiiran-2-yl)butyl]thiirane
SMILESC(CCC1CS1)CC1CS1
InChIInChI=1S/C8H14S2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2
InChIKeyAMQJTRXSDXHODS-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.78
Rot. Bonds5

About 2-[4-(thiiran-2-yl)butyl]thiirane

2-[4-(thiiran-2-yl)butyl]thiirane (PubChem CID 12666045) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-[4-(thiiran-2-yl)butyl]thiirane.

Molecular Properties

Compound Name2-[4-(thiiran-2-yl)butyl]thiirane
PubChem CID12666045
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-[4-(thiiran-2-yl)butyl]thiirane
SMILESC(CCC1CS1)CC1CS1
InChIInChI=1S/C8H14S2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2
InChIKeyAMQJTRXSDXHODS-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiiran-2-yl)butyl]thiirane?
The IUPAC name of 2-[4-(thiiran-2-yl)butyl]thiirane (CID 12666045) is 2-[4-(thiiran-2-yl)butyl]thiirane.
What is the SMILES notation for 2-[4-(thiiran-2-yl)butyl]thiirane?
The canonical SMILES for 2-[4-(thiiran-2-yl)butyl]thiirane is C(CCC1CS1)CC1CS1.
What is the InChIKey of 2-[4-(thiiran-2-yl)butyl]thiirane?
The InChIKey is AMQJTRXSDXHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2.
What are the key properties of 2-[4-(thiiran-2-yl)butyl]thiirane?
2-[4-(thiiran-2-yl)butyl]thiirane has a molecular weight of 174.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiiran-2-yl)butyl]thiirane is sourced from PubChem (CID 12666045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).