Home Other Building Blocks 2-isothiocyanato-N,N-dimethylacetamide

2-isothiocyanato-N,N-dimethylacetamide

CAS No.:
1096845-76-9
Catalog Number:
AG019WJC
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
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Product Description
Catalog Number:
AG019WJC
Chemical Name:
2-isothiocyanato-N,N-dimethylacetamide
CAS Number:
1096845-76-9
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
MDL Number:
MFCD11639030
IUPAC Name:
2-isothiocyanato-N,N-dimethylacetamide
InChI:
InChI=1S/C5H8N2OS/c1-7(2)5(8)3-6-4-9/h3H2,1-2H3
InChI Key:
LYUDHYFVCISADE-UHFFFAOYSA-N
SMILES:
CN(C(=O)CN=C=S)C
Properties
Complexity:
149  
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:
0
Isotope Atom Count:
0
Molecular Weight:
144.192g/mol
Monoisotopic Mass:
144.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties