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
   -4.7771   -0.7250   -0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1807   -0.1149    0.0650 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -0.8192   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1076   -1.9077   -2.0323 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -0.3909   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098    0.0300    0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0737    0.4495    1.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858    0.4429    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    0.0076   -1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231   -0.4046   -1.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511    0.8556    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8216    1.2756    1.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7399   -1.5464   -1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3778   -1.0817    0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3664    0.1511   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9869    0.0466    1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.7760    2.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516   -0.0095   -1.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3135   -0.7375   -2.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    0.8072   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8670    1.5688    1.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    1.3264    2.5078 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