CAS
94135-70-3 Purity
---
94135-70-3 Purity
---
Shopping basket
2-(2-Thienyl)ethyl 2-methylbutyrate
CAS
94135-74-7
Catalog Number
ACM94135747
Category
Other Products
Molecular Weight
212.308540 [g/mol]
Molecular Formula
C11H16O2S
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
EINECS 302-945-7, 2-(2-Thienyl)ethyl 2-methylbutyrate, CID3023726, 94135-74-7
IUPAC Name
2-thiophen-2-ylethyl 2-methylbutanoate
Canonical SMILES
CCC(C)C(=O)OCCC1=CC=CS1
InChI Key
XSDPFNMJFNZEIN-UHFFFAOYSA-N
Boiling Point
282.2ºC at 760mmHg
Flash Point
124.5ºC
Density
1.071g/cm³
EC Number
302-945-7
Exact Mass
212.08700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The molecular formula is C11H16O2S.
When was 2-(2-Thienyl)ethyl 2-methylbutyrate first created in PubChem?
It was first created on 2005-08-08.
What is the computed IUPAC name of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The computed IUPAC name is 2-thiophen-2-ylethyl 2-methylbutanoate.
What is the canonical SMILES representation of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The canonical SMILES representation is CCC(C)C(=O)OCCC1=CC=CS1.
What is the exact mass of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The exact mass is 212.08710092 g/mol.
How many rotatable bond counts are there in 2-(2-Thienyl)ethyl 2-methylbutyrate?
There are 6 rotatable bond counts.
What is the topological polar surface area of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The topological polar surface area is 54.5 Å2.
How many hydrogen bond acceptor counts are there in 2-(2-Thienyl)ethyl 2-methylbutyrate?
There are 3 hydrogen bond acceptor counts.
Is 2-(2-Thienyl)ethyl 2-methylbutyrate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the XLogP3-AA value of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The XLogP3-AA value is 3.2.
Recommended Products
![6-Bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate](https://resource.alfa-chemistry.com/structure/94135-70-3.gif)
![1,5-Dimethyl-3-[(2-methyl-1H-indol-3-yl)azo]-2-phenyl-1H-pyrazolium acetate](https://resource.alfa-chemistry.com/structure/94135-76-9.gif)
CAS
94135-76-9 Purity
---
94135-76-9 Purity
---
![3-[(1,2-Dimethyl-1H-indol-3-yl)azo]-1,5-dimethyl-2-phenyl-1H-pyrazolium acetate](https://resource.alfa-chemistry.com/structure/94135-77-0.gif)
CAS
94135-77-0 Purity
---
94135-77-0 Purity
---
