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
    3.0846   -0.3889    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1227    0.2282    0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    0.1763    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429    0.8440    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5748    0.8227    0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9941    0.1088   -0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0623   -0.5643   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.5296   -0.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7411    0.0651   -0.8905 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1129   -0.3217    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314   -0.9911   -0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866    0.8063    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782    1.4084    1.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3268    1.3535    1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -1.1293   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9857   -1.0752   -1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3600   -0.8132    0.0210 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