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139925-11-4 | 2-Propenenitrile, 3,3-bis(methylthio)-2-(1-oxopropoxy)-
CAS No: 139925-11-4 Catalog No: AG001BTK MDL No:
Product Description
Catalog Number:
AG001BTK
Chemical Name:
2-Propenenitrile, 3,3-bis(methylthio)-2-(1-oxopropoxy)-
CAS Number:
139925-11-4
Molecular Formula:
C8H11NO2S2
Molecular Weight:
217.3084
IUPAC Name:
[1-cyano-2,2-bis(methylsulfanyl)ethenyl] propanoate
InChI:
InChI=1S/C8H11NO2S2/c1-4-7(10)11-6(5-9)8(12-2)13-3/h4H2,1-3H3
InChI Key:
KGPBQJHGAZEMJP-UHFFFAOYSA-N
SMILES:
N#CC(=C(SC)SC)OC(=O)CC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.301g/mol
Monoisotopic Mass:
217.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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