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

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

CAS No.:
1803601-11-7
Catalog Number:
AG01B958
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
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Product Description
Catalog Number:
AG01B958
Chemical Name:
methyl 4-(1,3-thiazol-2-yl)butanoate
CAS Number:
1803601-11-7
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD28383779
IUPAC Name:
methyl 4-(1,3-thiazol-2-yl)butanoate
InChI:
InChI=1S/C8H11NO2S/c1-11-8(10)4-2-3-7-9-5-6-12-7/h5-6H,2-4H2,1H3
InChI Key:
JAOMTJHEOWPNLM-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1nccs1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties