CAS
91807-59-9 Purity
96%
91807-59-9 Purity
96%
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4-Allyl-5-pyridin-2-yl-4H-1,2,4-triazole-3-thiol
CAS
91813-63-7
Catalog Number
ACM91813637
Category
Other Products
Molecular Weight
218.28
Molecular Formula
C10H10N4S
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Specification
Synonyms
CHEMBRDG-BB 3018053;ART-CHEM-BB B018053;4-ALLYL-5-PYRIDIN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL;AKOS BBS-00003462;Albb-003361
What is the molecular formula of the compound?
The molecular formula of the compound is C10H10N4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 218.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C10H10N4S/c1-2-7-14-9(12-13-10(14)15)8-5-3-4-6-11-8/h2-6H,1,7H2,(H,13,15).
What is the InChIKey of the compound?
The InChIKey of the compound is GQUMJEVEIZJHNE-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C=CCN1C(=NNC1=S)C2=CC=CC=N2.
What is the CAS number of the compound?
The CAS number of the compound is 91813-63-7.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 72.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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