Home Other Building Blocks Propane, 1-isothiocyanato-3-methoxy-

Propane, 1-isothiocyanato-3-methoxy-

CAS No.:
17702-11-3
Catalog Number:
AG002524
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
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Product Description
Catalog Number:
AG002524
Chemical Name:
Propane, 1-isothiocyanato-3-methoxy-
CAS Number:
17702-11-3
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
MDL Number:
MFCD00022063
IUPAC Name:
1-isothiocyanato-3-methoxypropane
InChI:
InChI=1S/C5H9NOS/c1-7-4-2-3-6-5-8/h2-4H2,1H3
InChI Key:
UKVFWFDXYBLOLU-UHFFFAOYSA-N
SMILES:
COCCCN=C=S
Properties
Complexity:
88.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.04g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.193g/mol
Monoisotopic Mass:
131.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties