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

methyl 2-(4-ethynyl-1,3-thiazol-2-yl)acetate

CAS No.:
1566196-21-1
Catalog Number:
AG01BXJ8
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
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Product Description
Catalog Number:
AG01BXJ8
Chemical Name:
methyl 2-(4-ethynyl-1,3-thiazol-2-yl)acetate
CAS Number:
1566196-21-1
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD26806292
IUPAC Name:
methyl 2-(4-ethynyl-1,3-thiazol-2-yl)acetate
InChI:
InChI=1S/C8H7NO2S/c1-3-6-5-12-7(9-6)4-8(10)11-2/h1,5H,4H2,2H3
InChI Key:
KMZROHGGZRLDKS-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nc(cs1)C#C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties