Home Other Building Blocks methyl 4-(4-methyl-1,3-thiazol-2-yl)butanoate

methyl 4-(4-methyl-1,3-thiazol-2-yl)butanoate

CAS No.:
1803586-63-1
Catalog Number:
AG01B8PF
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
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Product Description
Catalog Number:
AG01B8PF
Chemical Name:
methyl 4-(4-methyl-1,3-thiazol-2-yl)butanoate
CAS Number:
1803586-63-1
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD28348090
IUPAC Name:
methyl 4-(4-methyl-1,3-thiazol-2-yl)butanoate
InChI:
InChI=1S/C9H13NO2S/c1-7-6-13-8(10-7)4-3-5-9(11)12-2/h6H,3-5H2,1-2H3
InChI Key:
SHXQIYBNJLXFFO-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1scc(n1)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties