Home Other Building Blocks ETHYL 2-ISOTHIOCYANATOPROPIONATE

ETHYL 2-ISOTHIOCYANATOPROPIONATE

CAS No.:
39574-16-8
Catalog Number:
AG003Q4I
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
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Product Description
Catalog Number:
AG003Q4I
Chemical Name:
ETHYL 2-ISOTHIOCYANATOPROPIONATE
CAS Number:
39574-16-8
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
MDL Number:
MFCD00070636
IUPAC Name:
ethyl 2-isothiocyanatopropanoate
InChI:
InChI=1S/C6H9NO2S/c1-3-9-6(8)5(2)7-4-10/h5H,3H2,1-2H3
InChI Key:
ALJGYASQFZQQJX-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC)N=C=S
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.203g/mol
Monoisotopic Mass:
159.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties