Home Aminos 2-(1,3-benzothiazol-2-ylamino)acetic acid

2-(1,3-benzothiazol-2-ylamino)acetic acid

CAS No.:
91192-36-8
Catalog Number:
AG006DK7
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
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Product Description
Catalog Number:
AG006DK7
Chemical Name:
2-(1,3-benzothiazol-2-ylamino)acetic acid
CAS Number:
91192-36-8
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00463455
IUPAC Name:
2-(1,3-benzothiazol-2-ylamino)acetic acid
InChI:
InChI=1S/C9H8N2O2S/c12-8(13)5-10-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key:
NQWYPNHFJRHOKO-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1nc2c(s1)cccc2
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties