2-(thiiran-2-ylmethylselanylmethyl)thiirane

C6H10S2Se — CID 18760598

IUPAC2-(thiiran-2-ylmethylselanylmethyl)thiirane
SMILESC1SC1C[Se]CC1CS1
InChIInChI=1S/C6H10S2Se/c1-5(7-1)3-9-4-6-2-8-6/h5-6H,1-4H2
InChIKeyHXMOCHKYGGSYHA-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.76
Rot. Bonds4

About 2-(thiiran-2-ylmethylselanylmethyl)thiirane

2-(thiiran-2-ylmethylselanylmethyl)thiirane (PubChem CID 18760598) has the molecular formula C6H10S2Se and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethylselanylmethyl)thiirane.

Molecular Properties

Compound Name2-(thiiran-2-ylmethylselanylmethyl)thiirane
PubChem CID18760598
Molecular FormulaC6H10S2Se
Molecular Weight225.24 g/mol
Exact Mass225.94
IUPAC Name2-(thiiran-2-ylmethylselanylmethyl)thiirane
SMILESC1SC1C[Se]CC1CS1
InChIInChI=1S/C6H10S2Se/c1-5(7-1)3-9-4-6-2-8-6/h5-6H,1-4H2
InChIKeyHXMOCHKYGGSYHA-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ylmethylselanylmethyl)thiirane?
The IUPAC name of 2-(thiiran-2-ylmethylselanylmethyl)thiirane (CID 18760598) is 2-(thiiran-2-ylmethylselanylmethyl)thiirane.
What is the SMILES notation for 2-(thiiran-2-ylmethylselanylmethyl)thiirane?
The canonical SMILES for 2-(thiiran-2-ylmethylselanylmethyl)thiirane is C1SC1C[Se]CC1CS1.
What is the InChIKey of 2-(thiiran-2-ylmethylselanylmethyl)thiirane?
The InChIKey is HXMOCHKYGGSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2Se/c1-5(7-1)3-9-4-6-2-8-6/h5-6H,1-4H2.
What are the key properties of 2-(thiiran-2-ylmethylselanylmethyl)thiirane?
2-(thiiran-2-ylmethylselanylmethyl)thiirane has a molecular weight of 225.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethylselanylmethyl)thiirane is sourced from PubChem (CID 18760598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).