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3829-80-9 | Methyl 2-amino-4-methylthiazole-5-carboxylate
CAS No: 3829-80-9 Catalog No: AG003RMS MDL No:MFCD01993690
Product Description
Catalog Number:
AG003RMS
Chemical Name:
Methyl 2-amino-4-methylthiazole-5-carboxylate
CAS Number:
3829-80-9
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD01993690
IUPAC Name:
methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8)
InChI Key:
TYUGYIMCRDPMPJ-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1C(=O)OC)N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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