2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane

C8H14S2Se2 — CID 18760644

IUPAC2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane
SMILESC(C[Se]CC1CS1)[Se]CC1CS1
InChIInChI=1S/C8H14S2Se2/c1(11-5-7-3-9-7)2-12-6-8-4-10-8/h7-8H,1-6H2
InChIKeyDTDAIQTUOVLPFM-UHFFFAOYSA-N
MW332.25 g/mol
LogP2.30
Rot. Bonds7

About 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane

2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane (PubChem CID 18760644) has the molecular formula C8H14S2Se2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane.

Molecular Properties

Compound Name2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane
PubChem CID18760644
Molecular FormulaC8H14S2Se2
Molecular Weight332.25 g/mol
Exact Mass333.89
IUPAC Name2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane
SMILESC(C[Se]CC1CS1)[Se]CC1CS1
InChIInChI=1S/C8H14S2Se2/c1(11-5-7-3-9-7)2-12-6-8-4-10-8/h7-8H,1-6H2
InChIKeyDTDAIQTUOVLPFM-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane?
The IUPAC name of 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane (CID 18760644) is 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane.
What is the SMILES notation for 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane?
The canonical SMILES for 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane is C(C[Se]CC1CS1)[Se]CC1CS1.
What is the InChIKey of 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane?
The InChIKey is DTDAIQTUOVLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2Se2/c1(11-5-7-3-9-7)2-12-6-8-4-10-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane?
2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane has a molecular weight of 332.25 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane is sourced from PubChem (CID 18760644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).