CAS
93071-76-2 Purity
96%
93071-76-2 Purity
96%
![[4-(5-Chloro-2-methylphenyl)-1-piperazinyl][3-methyl-5-(1-methylethyl)-4-isoxazolyl]-methanone](https://resource.alfa-chemistry.com/structure/930751-54-5.gif)
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1,3,4-Oxadiazole-2(3H)-thione,5-[(4-methoxyphenyl)methyl]-
CAS
93073-37-1
Catalog Number
ACM93073371
Category
Other Products
Molecular Weight
222.264
Molecular Formula
C10H10N2O2S
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Specification
Density
1.33g/cm³
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-[(4-methoxyphenyl)methyl]?
The molecular formula is C10H10N2O2S.
When was this compound created and modified in PubChem?
It was created on 2005-07-10 and modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 5-[(4-methoxyphenyl)methyl]-3H-1,3,4-oxadiazole-2-thione.
What is the InChIKey for this compound?
The InChIKey is ICAZBRUDKZCQHF-UHFFFAOYSA-N.
What is the canonical SMILES representation of this compound?
The canonical SMILES is COC1=CC=C(C=C1)CC2=NNC(=S)O2.
What is the molecular weight of this compound?
The molecular weight is 222.27 g/mol.
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of this compound?
The topological polar surface area is 74.9 Ų.
How many hydrogen bond acceptor counts does this compound have?
It has 4 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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