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
   -3.0126   -0.6298    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    0.3971    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    0.2341   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092   -0.9683    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827   -1.0602   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534    0.0644   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    1.2766   -0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248    1.3716   -0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8316   -0.0416   -0.4585 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821   -1.6466    0.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0919   -0.4974    0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755    1.3716    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -1.8645    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572   -2.0317   -0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297    2.1510   -0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    2.3453   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436   -0.4716    0.8023 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