2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane

C7H12S2Se2 — CID 18760616

IUPAC2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane
SMILESC([Se]CC1CS1)[Se]CC1CS1
InChIInChI=1S/C7H12S2Se2/c1-6(8-1)3-10-5-11-4-7-2-9-7/h6-7H,1-5H2
InChIKeyNAOJWQWQRHNYGW-UHFFFAOYSA-N
MW318.23 g/mol
LogP1.84
Rot. Bonds6

About 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane

2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane (PubChem CID 18760616) has the molecular formula C7H12S2Se2 and a molecular weight of 318.23 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane.

Molecular Properties

Compound Name2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane
PubChem CID18760616
Molecular FormulaC7H12S2Se2
Molecular Weight318.23 g/mol
Exact Mass319.87
IUPAC Name2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane
SMILESC([Se]CC1CS1)[Se]CC1CS1
InChIInChI=1S/C7H12S2Se2/c1-6(8-1)3-10-5-11-4-7-2-9-7/h6-7H,1-5H2
InChIKeyNAOJWQWQRHNYGW-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 51.84
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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Related Compounds

2,2'-(Disulfanediylbis(methylene))bis(thiirane)
CID 57402
2-Methylthiirane;thiirane
CID 22367971
2-(Thiiran-2-yldiselanyl)thiirane
CID 18410057
2-[2-(Thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane
CID 18410072
2,2'-[Selanylbis(methylene)]bis(thiirane)
CID 18760598
2-[2-[2-(Thiiran-2-ylmethylselanyl)ethylselanyl]ethylselanylmethyl]thiirane
CID 18760599
2-[(Thiiran-2-ylmethyldiselanyl)methyl]thiirane
CID 18760637
2-[2-(Thiiran-2-ylmethylselanyl)ethylselanylmethyl]thiirane
CID 18760644
2-(Thiiran-2-ylselanyl)thiirane
CID 18760649
2-[[(Thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane
CID 22388735
Bis(thiiran-2-ylmethyl)tin
CID 59341510
2-[(Thiiran-2-ylmethyltrisulfanyl)methyl]thiirane
CID 87221702

Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane?
The IUPAC name of 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane (CID 18760616) is 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane.
What is the SMILES notation for 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane?
The canonical SMILES for 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane is C([Se]CC1CS1)[Se]CC1CS1.
What is the InChIKey of 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane?
The InChIKey is NAOJWQWQRHNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2Se2/c1-6(8-1)3-10-5-11-4-7-2-9-7/h6-7H,1-5H2.
What are the key properties of 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane?
2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane has a molecular weight of 318.23 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane is sourced from PubChem (CID 18760616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).