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15771-37-6 | Propanenitrile, 3-[(2-hydroxyethyl)thio]-
CAS No: 15771-37-6 Catalog No: AG001PO4 MDL No:MFCD00020617
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
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