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
   -3.0486    0.6240    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997   -0.3147   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661   -0.2193   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372    0.8427    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    0.8893    0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473   -0.1516    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170   -1.2135   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534   -1.2697   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222   -0.1493    0.4479 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888    1.5050    0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1198    0.5429   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137   -1.1885   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6726    0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401    1.7234    1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -2.0412   -0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -2.1147   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3427    0.8628   -0.4033 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