Home Aminos methyl (5-amino-1,3,4-thiadiazol-2-yl)acetate

methyl (5-amino-1,3,4-thiadiazol-2-yl)acetate

CAS No.:
181370-69-4
Catalog Number:
AG00J289
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
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Product Description
Catalog Number:
AG00J289
Chemical Name:
methyl (5-amino-1,3,4-thiadiazol-2-yl)acetate
CAS Number:
181370-69-4
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
MDL Number:
MFCD05240299
IUPAC Name:
methyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate
InChI:
InChI=1S/C5H7N3O2S/c1-10-4(9)2-3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
InChI Key:
MFIQCDDQYZXHLM-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nnc(s1)N
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.026g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.19g/mol
Monoisotopic Mass:
173.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties