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

C10H18S2Se3 — CID 18760599

IUPAC2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane
SMILESC(C[Se]CC1CS1)[Se]CC[Se]CC1CS1
InChIInChI=1S/C10H18S2Se3/c1(3-14-7-9-5-11-9)13-2-4-15-8-10-6-12-10/h9-10H,1-8H2
InChIKeyOFAWDVJJCXJZRP-UHFFFAOYSA-N
MW439.27 g/mol
LogP2.84
Rot. Bonds10

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

2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane (PubChem CID 18760599) has the molecular formula C10H18S2Se3 and a molecular weight of 439.27 g/mol. Its IUPAC name is 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane.

Molecular Properties

Compound Name2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane
PubChem CID18760599
Molecular FormulaC10H18S2Se3
Molecular Weight439.27 g/mol
Exact Mass441.83
IUPAC Name2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane
SMILESC(C[Se]CC1CS1)[Se]CC[Se]CC1CS1
InChIInChI=1S/C10H18S2Se3/c1(3-14-7-9-5-11-9)13-2-4-15-8-10-6-12-10/h9-10H,1-8H2
InChIKeyOFAWDVJJCXJZRP-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 52.84
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-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane?
The IUPAC name of 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane (CID 18760599) is 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane.
What is the SMILES notation for 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane?
The canonical SMILES for 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane is C(C[Se]CC1CS1)[Se]CC[Se]CC1CS1.
What is the InChIKey of 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane?
The InChIKey is OFAWDVJJCXJZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2Se3/c1(3-14-7-9-5-11-9)13-2-4-15-8-10-6-12-10/h9-10H,1-8H2.
What are the key properties of 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane?
2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane has a molecular weight of 439.27 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane is sourced from PubChem (CID 18760599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).