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
    3.0747    0.2681   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -0.5857   -0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -0.2877   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -1.2141   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5795   -0.9537   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0415    0.2371    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    1.1596    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    0.9001    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7910    0.5838    0.2213 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    0.0250   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    1.2462    0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548   -1.5359   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387   -2.1468   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3174   -1.6766   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494    2.0865    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    1.6702    0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2586    0.2240    1.5032 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