2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane

C7H12S6 — CID 22388735

IUPAC2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane
SMILESC(SSCC1CS1)SSCC1CS1
InChIInChI=1S/C7H12S6/c1-6(8-1)3-10-12-5-13-11-4-7-2-9-7/h6-7H,1-5H2
InChIKeyTXZUAJDVVKRXEB-UHFFFAOYSA-N
MW288.58 g/mol
LogP3.94
Rot. Bonds8

About 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane

2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane (PubChem CID 22388735) has the molecular formula C7H12S6 and a molecular weight of 288.58 g/mol. Its IUPAC name is 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane.

Molecular Properties

Compound Name2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane
PubChem CID22388735
Molecular FormulaC7H12S6
Molecular Weight288.58 g/mol
Exact Mass287.93
IUPAC Name2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane
SMILESC(SSCC1CS1)SSCC1CS1
InChIInChI=1S/C7H12S6/c1-6(8-1)3-10-12-5-13-11-4-7-2-9-7/h6-7H,1-5H2
InChIKeyTXZUAJDVVKRXEB-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
1,1'-Thiobis(2,3-epithiopropane)
CID 10976066
2-Methylthiirane;thiirane
CID 22367971
Thiirane, 2,2'-[1,2-ethanediylbis(thiomethylene)]bis-
CID 11218644
2-Methyl-3-[(3-methylthiiran-2-yl)disulfanyl]thiirane
CID 17799443
2-[[2-(Thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
CID 18541670
2,2'-[Selanylbis(methylene)]bis(thiirane)
CID 18760598
2-(Thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane
CID 18760616
2-[(Thiiran-2-ylmethyldiselanyl)methyl]thiirane
CID 18760637
2-(Thiiran-2-ylmethylsulfanylmethylsulfanylmethyl)thiirane
CID 21900599
2-(Thiiran-2-ylmethyl)thiirane
CID 21987805
2-[[1-(Thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
CID 22388724

Frequently Asked Questions

What is the IUPAC name of 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane?
The IUPAC name of 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane (CID 22388735) is 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane.
What is the SMILES notation for 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane?
The canonical SMILES for 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane is C(SSCC1CS1)SSCC1CS1.
What is the InChIKey of 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane?
The InChIKey is TXZUAJDVVKRXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S6/c1-6(8-1)3-10-12-5-13-11-4-7-2-9-7/h6-7H,1-5H2.
What are the key properties of 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane?
2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane has a molecular weight of 288.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane is sourced from PubChem (CID 22388735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).