Home Nitriles 1,3,4-Thiadiazole-2-acetonitrile, 5-methoxy-

1,3,4-Thiadiazole-2-acetonitrile, 5-methoxy-

CAS No.:
84389-19-5
Catalog Number:
AG00GKJQ
Molecular Formula:
C5H5N3OS
Molecular Weight:
155.1777
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GKJQ
Chemical Name:
1,3,4-Thiadiazole-2-acetonitrile, 5-methoxy-
CAS Number:
84389-19-5
Molecular Formula:
C5H5N3OS
Molecular Weight:
155.1777
MDL Number:
MFCD18805203
IUPAC Name:
2-(5-methoxy-1,3,4-thiadiazol-2-yl)acetonitrile
InChI:
InChI=1S/C5H5N3OS/c1-9-5-8-7-4(10-5)2-3-6/h2H2,1H3
InChI Key:
BXLZOUNBMLMWPS-UHFFFAOYSA-N
SMILES:
COc1nnc(s1)CC#N
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.175g/mol
Monoisotopic Mass:
155.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties