Home Other Building Blocks 2-cyano-N-[(1,3-thiazol-4-yl)methyl]acetamide

2-cyano-N-[(1,3-thiazol-4-yl)methyl]acetamide

CAS No.:
1495694-03-5
Catalog Number:
AG01BIPK
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BIPK
Chemical Name:
2-cyano-N-[(1,3-thiazol-4-yl)methyl]acetamide
CAS Number:
1495694-03-5
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
MDL Number:
MFCD18893858
IUPAC Name:
2-cyano-N-(1,3-thiazol-4-ylmethyl)acetamide
InChI:
InChI=1S/C7H7N3OS/c8-2-1-7(11)9-3-6-4-12-5-10-6/h4-5H,1,3H2,(H,9,11)
InChI Key:
VSFWNTAEZCDLPH-UHFFFAOYSA-N
SMILES:
C(c1cscn1)NC(=O)CC#N
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties