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119174-33-3 | Ethanethioic acid, S-(2-cyanoethyl) ester
CAS No: 119174-33-3 Catalog No: AG000IAP MDL No:
Product Description
Catalog Number:
AG000IAP
Chemical Name:
Ethanethioic acid, S-(2-cyanoethyl) ester
CAS Number:
119174-33-3
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
IUPAC Name:
S-(2-cyanoethyl) ethanethioate
InChI:
InChI=1S/C5H7NOS/c1-5(7)8-4-2-3-6/h2,4H2,1H3
InChI Key:
BMBATCYWJILFCR-UHFFFAOYSA-N
SMILES:
CC(=O)SCCC#N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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