CAS
91091-13-3 Purity
96%
91091-13-3 Purity
96%
Inquiry Basket
4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
CAS
91092-12-5
Catalog Number
ACM91092125
Category
Other Products
Molecular Weight
251.74
Molecular Formula
C11H10ClN3S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
CHEMBRDG-BB 5740118;BUTTPARK 59\40-35;4-ALLYL-5-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL;AKOS BBS-00003301;RARECHEM BG FB 0072;Albb-003249
What is the molecular formula of the compound with PubChem CID 764323?
The molecular formula is C11H10ClN3S.
What is the IUPAC name of the compound?
The IUPAC name is 3-(4-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
What is the molecular weight of the compound?
The molecular weight is 251.74 g/mol.
What is the Canonical SMILES notation of the compound?
The Canonical SMILES notation is C=CCN1C(=NNC1=S)C2=CC=C(C=C2)Cl.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 59.7 ².
Is the compound Canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is MYVPOZBQHZUCQD-UHFFFAOYSA-N.
How many rotatable bond counts are there in the compound?
There are 3 rotatable bond counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.9.
Recommended Products
![1-Methyl-1H-[1,2,3]triazolo[4,5-g]phthalazine-4,9-dione](https://resource.alfa-chemistry.com/structure/910918-71-7.gif)
CAS
910918-71-7 Purity
---
910918-71-7 Purity
---
![3-Cyanomethyl-2-methylbenzo[b]thiophene](https://resource.alfa-chemistry.com/structure/91093-21-9.gif)
