Monomers

Benzyl vinyl sulfide

Identifiers

IUPAC name
ethenylsulfanylmethylbenzene
InchI
InChI=1S/C9H10S/c1-2-10-8-9-6-4-3-5-7-9/h2-7H,1,8H2
InchI Key
RYZCGQUXJPHSSF-UHFFFAOYSA-N
SMILES
C=CSCc1ccccc1
Canonical SMILES
C=CSCC1=CC=CC=C1
Isomeric SMILES
C=CSCC1=CC=CC=C1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10S
Heavy Atom Count
10
Molecular Weight
150.246
Exact Molecular Weight
150.0503
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.0633
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.2762    0.3534   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530   -0.4365   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    0.1904    0.1227 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5233   -0.9082   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779   -0.3226   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300    0.5652   -0.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452    1.1350   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2497    0.8251    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165   -0.0546    1.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891   -0.6271    1.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777    0.0012   -1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    1.3524   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6981   -1.4465   -0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -0.9881   -1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525   -1.9464   -0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9454    0.8052   -1.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852    1.8266   -1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1914    1.3014    0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0876   -0.3014    2.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956   -1.3247    1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers