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918340-91-7

918340-91-7 | Benzonitrile, 4-[(1E)-2-(ethylthio)ethenyl]-

CAS No: 918340-91-7 Catalog No: AG006G4T MDL No:

Product Description

Catalog Number:
AG006G4T
Chemical Name:
Benzonitrile, 4-[(1E)-2-(ethylthio)ethenyl]-
CAS Number:
918340-91-7
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
IUPAC Name:
4-(2-ethylsulfanylethenyl)benzonitrile
InChI:
InChI=1S/C11H11NS/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3
InChI Key:
XZBTVFBWCGCWLO-UHFFFAOYSA-N
SMILES:
CCS/C=C/c1ccc(cc1)C#N

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.9  

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