Home Carboxys 2-[(prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

CAS No.:
1258650-46-2
Catalog Number:
AG01AAG8
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
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Product Description
Catalog Number:
AG01AAG8
Chemical Name:
2-[(prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CAS Number:
1258650-46-2
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD17167176
IUPAC Name:
2-(prop-2-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H8N2O3S/c1-2-3-9-6(11)7-10-5(4-14-7)8(12)13/h2,4H,1,3H2,(H,9,11)(H,12,13)
InChI Key:
XHFTZXACCMHJII-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)C(=O)NCC=C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties