CAS
99179-72-3 Purity
96%
99179-72-3 Purity
96%
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5-Heptylthio-1,3,4-thiadiazole-2-thiol
CAS
99182-20-4
Catalog Number
ACM99182204
Category
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- Synthetic Use
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What is the molecular formula of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is C9H16N2S3.
When was 5-Heptylthio-1,3,4-thiadiazole-2-thiol created and last modified?
5-Heptylthio-1,3,4-thiadiazole-2-thiol was created on July 21, 2009, and last modified on December 30, 2023.
What is the IUPAC name of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The IUPAC name of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is 5-heptylsulfanyl-3H-1,3,4-thiadiazole-2-thione.
What is the InChI of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The InChI of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is InChI=1S/C9H16N2S3/c1-2-3-4-5-6-7-13-9-11-10-8(12)14-9/h2-7H2,1H3,(H,10,12).
What is the InChIKey of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The InChIKey of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is ZCUJLYRLTUNSAU-UHFFFAOYSA-N.
What is the canonical SMILES of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The canonical SMILES of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is CCCCCCCSC1=NNC(=S)S1.
What is the molecular weight of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is 248.4 g/mol.
How many hydrogen bond donor counts does 5-Heptylthio-1,3,4-thiadiazole-2-thiol have?
5-Heptylthio-1,3,4-thiadiazole-2-thiol has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 5-Heptylthio-1,3,4-thiadiazole-2-thiol?
The XLogP3-AA value of 5-Heptylthio-1,3,4-thiadiazole-2-thiol is 4.7.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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