CAS
94159-26-9 Purity
96%
94159-26-9 Purity
96%
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2-(4-Methylthiazol-5-yl)ethyl valerate
CAS
94159-30-5
Catalog Number
ACM94159305
Category
Other Products
Molecular Weight
227.32318
Molecular Formula
C11H17NO2S
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Specification
Synonyms
EINECS 303-208-2, CID3023837, 2-(4-Methylthiazol-5-yl)ethyl valerate, 94159-30-5
IUPAC Name
2-(4-methyl-1,3-thiazol-5-yl)ethyl pentanoate
Canonical SMILES
CCCCC(=O)OCCC1=C(N=CS1)C
InChI Key
YCFURYOJKUTCOJ-UHFFFAOYSA-N
Boiling Point
322.7ºC at 760mmHg
Flash Point
148.9ºC
Density
1.096g/cm³
EC Number
303-208-2
Exact Mass
227.09800
H-Bond Acceptor
3
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 3023837?
The IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl pentanoate.
What is the molecular formula of the compound?
The molecular formula is C11H17NO2S.
What is the molecular weight of the compound?
The molecular weight is 227.33 g/mol.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCC(=O)OCCC1=C(N=CS1)C.
What is the InChIKey of the compound?
The InChIKey is YCFURYOJKUTCOJ-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 67.4 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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