CAS
94159-28-1 Purity
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94159-28-1 Purity
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2-(4-Methylthiazol-5-yl)ethyl hexanoate
CAS
94159-32-7
Catalog Number
ACM94159327
Category
Other Products
Molecular Weight
241.35
Molecular Formula
C12H19NO2S
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Specification
Synonyms
EINECS 303-210-3, ZINC21999709, 2-(4-Methylthiazol-5-yl)ethyl hexanoate, CID3023839, I14-1002, 94159-32-7
IUPAC Name
2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate
Canonical SMILES
CCCCCC(=O)OCCC1=C(N=CS1)C
InChI Key
VJULDCZELAIZHC-UHFFFAOYSA-N
Boiling Point
143-145° (2 mm Hg)
Flash Point
158.3ºC
Density
1.078 g/cm³
Appearance
Colourless to yellow liquid; Roasted, nutty aroma
EC Number
303-210-3
Exact Mass
241.11400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The molecular formula is C12H19NO2S.
What is the molecular weight of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The molecular weight is 241.35 g/mol.
What is the IUPAC name of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate.
What is the InChI of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The InChI is InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3.
What is the InChIKey of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The InChIKey is VJULDCZELAIZHC-UHFFFAOYSA-N.
How many hydrogen bond donor counts are in 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are in 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The topological polar surface area is 67.4 Å2.
How many rotatable bond counts are in 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
There are 8 rotatable bond counts.
What is the exact mass and monoisotopic mass of 2-(4-Methylthiazol-5-yl)ethyl hexanoate?
The exact mass and monoisotopic mass are both 241.11365002 g/mol.
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