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6440-02-4 | 5-AMINO-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS No: 6440-02-4 Catalog No: AG003MCF MDL No:
Product Description
Catalog Number:
AG003MCF
Chemical Name:
5-AMINO-1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
6440-02-4
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
IUPAC Name:
ethyl 5-aminothiadiazole-4-carboxylate
InChI:
InChI=1S/C5H7N3O2S/c1-2-10-5(9)3-4(6)11-8-7-3/h2,6H2,1H3
InChI Key:
ZUGOHJWUTNKRMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnsc1N
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:
1.2
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 |
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