Home Nitriles 2-(1,2,5-thiadiazol-3-yl)acetonitrile

2-(1,2,5-thiadiazol-3-yl)acetonitrile

CAS No.:
1936332-28-3
Catalog Number:
AG01B2FO
Molecular Formula:
C4H3N3S
Molecular Weight:
125.1517
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Product Description
Catalog Number:
AG01B2FO
Chemical Name:
2-(1,2,5-thiadiazol-3-yl)acetonitrile
CAS Number:
1936332-28-3
Molecular Formula:
C4H3N3S
Molecular Weight:
125.1517
MDL Number:
MFCD29991596
IUPAC Name:
2-(1,2,5-thiadiazol-3-yl)acetonitrile
InChI:
InChI=1S/C4H3N3S/c5-2-1-4-3-6-8-7-4/h3H,1H2
InChI Key:
CNYSZDLVMBPLAA-UHFFFAOYSA-N
SMILES:
C(c1cnsn1)C#N
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.005g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.149g/mol
Monoisotopic Mass:
125.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties