Home Nitriles Propanenitrile, 3-[(2-hydroxyethyl)thio]-

Propanenitrile, 3-[(2-hydroxyethyl)thio]-

CAS No.:
15771-37-6
Catalog Number:
AG001PO4
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
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Product Description
Catalog Number:
AG001PO4
Chemical Name:
Propanenitrile, 3-[(2-hydroxyethyl)thio]-
CAS Number:
15771-37-6
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
MDL Number:
MFCD00020617
IUPAC Name:
3-(2-hydroxyethylsulfanyl)propanenitrile
InChI:
InChI=1S/C5H9NOS/c6-2-1-4-8-5-3-7/h7H,1,3-5H2
InChI Key:
LNJCGNRKWOHFFV-UHFFFAOYSA-N
SMILES:
OCCSCCC#N
UNII:
208PJI4W33
Properties
Complexity:
85.7  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
131.193g/mol
Monoisotopic Mass:
131.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties