2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane

C6H10S2Se2 — CID 18760637

IUPAC2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane
SMILESC1SC1C[Se][Se]CC1CS1
InChIInChI=1S/C6H10S2Se2/c1-5(7-1)3-9-10-4-6-2-8-6/h5-6H,1-4H2
InChIKeyRCPVLGNJCIGNAI-UHFFFAOYSA-N
MW304.20 g/mol
LogP1.38
Rot. Bonds5

About 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane

2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane (PubChem CID 18760637) has the molecular formula C6H10S2Se2 and a molecular weight of 304.20 g/mol. Its IUPAC name is 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane.

Molecular Properties

Compound Name2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane
PubChem CID18760637
Molecular FormulaC6H10S2Se2
Molecular Weight304.20 g/mol
Exact Mass305.86
IUPAC Name2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane
SMILESC1SC1C[Se][Se]CC1CS1
InChIInChI=1S/C6H10S2Se2/c1-5(7-1)3-9-10-4-6-2-8-6/h5-6H,1-4H2
InChIKeyRCPVLGNJCIGNAI-UHFFFAOYSA-N
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 51.38
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-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane?
The IUPAC name of 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane (CID 18760637) is 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane.
What is the SMILES notation for 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane?
The canonical SMILES for 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane is C1SC1C[Se][Se]CC1CS1.
What is the InChIKey of 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane?
The InChIKey is RCPVLGNJCIGNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2Se2/c1-5(7-1)3-9-10-4-6-2-8-6/h5-6H,1-4H2.
What are the key properties of 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane?
2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane has a molecular weight of 304.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thiiran-2-ylmethyldiselanyl)methyl]thiirane is sourced from PubChem (CID 18760637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).