Monomers

4-Ethenylbenzene-1-thiol

Identifiers

IUPAC name
4-ethenylbenzenethiol
InchI
InChI=1S/C8H8S/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InchI Key
KCCWFTFCEHVSTM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)S
Canonical SMILES
C=CC1=CC=C(C=C1)S
Isomeric SMILES
C=CC1=CC=C(C=C1)S
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8S
Heavy Atom Count
9
Molecular Weight
136.219
Exact Molecular Weight
136.0347
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.6183
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.0365   -0.3753    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323    0.5615    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403    0.2984    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3202   -0.9177   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0420   -1.1343   -0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -0.1633   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5645    1.0655    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294    1.2814    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7263   -0.4650   -0.7460 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8722   -1.3763   -0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766   -0.0782    0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    1.5665    0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759   -1.7327   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3944   -2.1064   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195    1.8446    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    2.2551    0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3929   -0.5237    0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers