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
   -3.1136   -0.2543    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1739    0.6034   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    0.3302    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2013    1.2973   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.0866   -0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.1302    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194   -1.0956    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -0.8811    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8112   -0.4283    0.3239 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433    0.0175    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8600   -1.2329    0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614    1.5860   -0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    2.2414   -0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830    1.8466   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259   -2.0555    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038   -1.6872    0.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705   -1.2439   -0.7264 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