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
    3.2187   -0.0308    1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7064   -0.4691   -0.5252 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3179   -0.6392   -1.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140   -1.0356   -3.1772 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481   -0.4409   -1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -1.2924   -1.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -1.0926   -1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7036    0.0014   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956    0.8618    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.6312   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920    0.2022    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262    1.2129    0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2756    1.0666    1.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -0.4726    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9852   -0.4812    1.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119   -2.1417   -2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -1.7599   -1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    1.7298    0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    1.3354   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8542   -0.5076   -0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4736    1.3450    1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7683    1.9774    1.1955 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