Home Other Building Blocks 2-isothiocyanatoacetamide

2-isothiocyanatoacetamide

CAS No.:
145518-36-1
Catalog Number:
AG01A9OK
Molecular Formula:
C3H4N2OS
Molecular Weight:
116.1417
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Product Description
Catalog Number:
AG01A9OK
Chemical Name:
2-isothiocyanatoacetamide
CAS Number:
145518-36-1
Molecular Formula:
C3H4N2OS
Molecular Weight:
116.1417
MDL Number:
MFCD11131114
IUPAC Name:
2-isothiocyanatoacetamide
InChI:
InChI=1S/C3H4N2OS/c4-3(6)1-5-2-7/h1H2,(H2,4,6)
InChI Key:
LXDZRHJIMQYSSD-UHFFFAOYSA-N
SMILES:
NC(=O)CN=C=S
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.004g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
116.138g/mol
Monoisotopic Mass:
116.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties