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
   -4.8925    0.4073   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322    0.3326    0.3621 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0061   -0.0361   -0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318   -0.2660   -2.3920 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.1313   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476   -1.2415    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -1.2774    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859   -0.2899    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182    0.7833   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824    0.8640   -0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555   -0.4271    0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    0.4785    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8498    0.8557   -1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5607    1.0076    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3519   -0.6004   -0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8673   -2.0018    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992   -2.1687    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    1.6028   -0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962    1.7286   -1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595   -1.3196    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564    1.3826   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3833    0.3170    0.7336 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