Home Other Building Blocks 5-Methoxy-1,3,4-thiadiazol-2-ol

5-Methoxy-1,3,4-thiadiazol-2-ol

CAS No.:
17605-27-5
Catalog Number:
AG0021EG
Molecular Formula:
C3H4N2O2S
Molecular Weight:
132.1411
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG0021EG
Chemical Name:
5-Methoxy-1,3,4-thiadiazol-2-ol
CAS Number:
17605-27-5
Molecular Formula:
C3H4N2O2S
Molecular Weight:
132.1411
MDL Number:
MFCD11046207
IUPAC Name:
5-methoxy-3H-1,3,4-thiadiazol-2-one
InChI:
InChI=1S/C3H4N2O2S/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)
InChI Key:
LRENRSMVTOWJKZ-UHFFFAOYSA-N
SMILES:
COc1n[nH]c(=O)s1
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.999g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.137g/mol
Monoisotopic Mass:
131.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
5-Meth-oxy-1,3,4-thia-diazol-2(3H)-one. Acta crystallographica. Section E, Structure reports online 20120201
Properties