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
    4.7661    0.7690   -0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    0.8165   -0.9094 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363   -0.2253    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -1.0800    1.3251 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931   -0.3088    0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019   -1.4576    0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -1.5013    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318   -0.3787    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140    0.7472   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407    0.7876   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5776   -0.4462    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3286    0.5706   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2543    0.4951   -1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1238    0.1325    0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283    1.8193   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5407   -2.3486    0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -2.4088    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555    1.6539   -0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4953    1.7056   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0522   -1.3783    0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4187    0.5148   -0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9258    1.5215   -0.4525 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