Home Other Building Blocks Propanoic acid, 3-isothiocyanato-, methyl ester

Propanoic acid, 3-isothiocyanato-, methyl ester

CAS No.:
18967-35-6
Catalog Number:
AG002DUT
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002DUT
Chemical Name:
Propanoic acid, 3-isothiocyanato-, methyl ester
CAS Number:
18967-35-6
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
MDL Number:
MFCD00041129
IUPAC Name:
methyl 3-isothiocyanatopropanoate
InChI:
InChI=1S/C5H7NO2S/c1-8-5(7)2-3-6-4-9/h2-3H2,1H3
InChI Key:
VLIJIUDWAKBKSO-UHFFFAOYSA-N
SMILES:
S=C=NCCC(=O)OC
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties