Monomers

Me-thyl 4-vinyldithiobenzoate

Identifiers

IUPAC name
methyl 4-ethenylbenzenecarbodithioate
InchI
InChI=1S/C10H10S2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InchI Key
DDKLKPSTAGADGR-UHFFFAOYSA-N
SMILES
CSC(=S)c1ccc(cc1)C=C
Canonical SMILES
CSC(=S)C1=CC=C(C=C1)C=C
Isomeric SMILES
CSC(=S)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10S2
Heavy Atom Count
12
Molecular Weight
194.324
Exact Molecular Weight
194.0224
Valence Electrons
62
Radical Electrons
0
tPSA
0.0
MolLogP
3.3681
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.8550   -0.1378   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -0.7236   -0.3723 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322    0.6874   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    2.2141   -0.1674 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192    0.3787    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678    0.4881   -1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998    0.1790   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538   -0.2214    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1059   -0.3130    1.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143   -0.0187    1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -0.5444    0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3819   -0.4817   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2524    0.2076    0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866    0.7422   -1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4692   -0.9421   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0659    0.8020   -2.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854    0.2645   -1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377   -0.6241    2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328   -0.0931    2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7377   -0.8610    1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829   -0.1837   -1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4197   -0.7286   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  3
 10  5  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers