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
   -2.9990    0.7263    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993   -0.3055   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7558   -0.2384   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225   -1.3922   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -1.3902   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289   -0.2095   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    0.9465    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806    0.9386    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350   -0.2419   -0.0928 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6024    1.7107    0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796    0.6483    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -1.2772   -0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481   -2.3217   -0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958   -2.3263   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478    1.8798    0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6244    1.8590    0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276    0.9938    0.3712 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