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

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

CAS No.:
56951-58-7
Catalog Number:
AG01A1OV
Molecular Formula:
C3H5N3OS
Molecular Weight:
131.1563
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Product Description
Catalog Number:
AG01A1OV
Chemical Name:
(5-amino-1,3,4-thiadiazol-2-yl)methanol
CAS Number:
56951-58-7
Molecular Formula:
C3H5N3OS
Molecular Weight:
131.1563
MDL Number:
MFCD12766834
IUPAC Name:
(5-amino-1,3,4-thiadiazol-2-yl)methanol
InChI:
InChI=1S/C3H5N3OS/c4-3-6-5-2(1-7)8-3/h7H,1H2,(H2,4,6)
InChI Key:
URCCVQJLYSKFBQ-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)CO
Properties
Complexity:
80.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.015g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
131.153g/mol
Monoisotopic Mass:
131.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
Oxidative cyclization of D-fructose thiosemicarbazones to 2-amino-5-(D-arabino-1,2,3,4-tetrahydroxybut-1-yl)-1,3,4-thiadiazoles through carbon-carbon bond cleavage of the sugar chain. Die Pharmazie 20030601
Properties