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116233-35-3

116233-35-3 | 2-Propenenitrile, 2-[[(1,1-dimethylethyl)thio]methyl]-

CAS No: 116233-35-3 Catalog No: AG000BZW MDL No:

Product Description

Catalog Number:
AG000BZW
Chemical Name:
2-Propenenitrile, 2-[[(1,1-dimethylethyl)thio]methyl]-
CAS Number:
116233-35-3
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
IUPAC Name:
2-(tert-butylsulfanylmethyl)prop-2-enenitrile
InChI:
InChI=1S/C8H13NS/c1-7(5-9)6-10-8(2,3)4/h1,6H2,2-4H3
InChI Key:
GFLZUQMZRKYNOL-UHFFFAOYSA-N
SMILES:
N#CC(=C)CSC(C)(C)C

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.077g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.259g/mol
Monoisotopic Mass:
155.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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