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130992-20-0 | Acetic acid, 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)-
CAS No: 130992-20-0 Catalog No: AG000V8K MDL No:MFCD09971245
Product Description
Catalog Number:
AG000V8K
Chemical Name:
Acetic acid, 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)-
CAS Number:
130992-20-0
Molecular Formula:
C4H3N3O3S
Molecular Weight:
173.1499
MDL Number:
MFCD09971245
IUPAC Name:
2-oxo-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
InChI:
InChI=1S/C4H3N3O3S/c8-2(3(9)10)6-4-7-5-1-11-4/h1H,(H,9,10)(H,6,7,8)
InChI Key:
BKRSPAQARUBDQM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Nc1nncs1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.146g/mol
Monoisotopic Mass:
172.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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