Home Other Building Blocks 3-isothiocyanato-N-methylpropanamide

3-isothiocyanato-N-methylpropanamide

CAS No.:
63767-54-4
Catalog Number:
AG01B215
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
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Product Description
Catalog Number:
AG01B215
Chemical Name:
3-isothiocyanato-N-methylpropanamide
CAS Number:
63767-54-4
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
MDL Number:
MFCD16125998
IUPAC Name:
3-isothiocyanato-N-methylpropanamide
InChI:
InChI=1S/C5H8N2OS/c1-6-5(8)2-3-7-4-9/h2-3H2,1H3,(H,6,8)
InChI Key:
NRIYQKLSBVXOSA-UHFFFAOYSA-N
SMILES:
S=C=NCCC(=O)NC
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.036g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.192g/mol
Monoisotopic Mass:
144.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties