CAS
97492-93-8 Purity
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97492-93-8 Purity
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1,3,4-Thiadiazole-2(3H)-thione,5-(tert-nonyldithio)-
CAS
97503-12-3
Catalog Number
ACM97503123
Category
Other Products
Molecular Formula
C11H20N2S4
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What is the molecular formula of 1,3,4-Thiadiazole-2(3H)-thione, 5-(tert-nonyldithio)?
The molecular formula is C11H20N2S4.
When was the compound created and modified?
The compound was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 5-(2-methyloctan-2-yldisulfanyl)-3H-1,3,4-thiadiazole-2-thione.
What is the InChI of the compound?
The InChI is InChI=1S/C11H20N2S4/c1-4-5-6-7-8-11(2,3)17-16-10-13-12-9(14)15-10/h4-8H2,1-3H3,(H,12,14).
What is the InChIKey of the compound?
The InChIKey is LFJYCZUCHIBVSG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCCCCCC(C)(C)SSC1=NNC(=S)S1.
What is the molecular weight of the compound?
The molecular weight is 308.6 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.4.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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