Home Carboxys 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylic acid

2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylic acid

CAS No.:
1384798-69-9
Catalog Number:
AG019ZUR
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
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Product Description
Catalog Number:
AG019ZUR
Chemical Name:
2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylic acid
CAS Number:
1384798-69-9
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD22375348
IUPAC Name:
2-(prop-2-enylamino)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O2S/c1-2-3-8-7-9-4-5(12-7)6(10)11/h2,4H,1,3H2,(H,8,9)(H,10,11)
InChI Key:
SZRYTNPYQFUEAC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)NCC=C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties