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Home > Thiazole > 1343718-84-2
1343718-84-2 | 3-Thiazol-5-yl-alanine
CAS No: 1343718-84-2 Catalog No: AG00A0Z1 MDL No:MFCD09915113
Product Description
Catalog Number:
AG00A0Z1
Chemical Name:
3-Thiazol-5-yl-alanine
CAS Number:
1343718-84-2
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD09915113
IUPAC Name:
(2S)-2-amino-3-(1,3-thiazol-5-yl)propanoic acid
InChI:
InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
InChI Key:
XEGDVXZYFYKJJR-YFKPBYRVSA-N
SMILES:
N[C@H](C(=O)O)Cc1cncs1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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