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
    4.8778   -0.3354   -0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -0.7402   -0.6979 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1113    0.4893    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.7474    0.8375 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649    0.3418    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0283   -0.8722   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614   -0.9588    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1622    0.1444    0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    1.3611    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.4584    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6061    0.1233    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2729   -1.0021    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0855    0.2041    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1951    0.2191   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4357   -1.3052   -0.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315   -1.7814   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -1.9254   -0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899    2.2969    0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3038    2.4276    0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1426    1.0461    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8308   -1.9803   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602   -0.9585    0.0486 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