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
    3.3941    0.9502   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678   -0.8338   -0.3010 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514   -1.7407   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -3.3596   -0.2064 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756   -1.0572   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562   -1.3166   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824   -0.6495   -0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5703    0.2762    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    0.5562    1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6611   -0.0965    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8095    0.9964    0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170    0.7670   -0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282    1.2306   -0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9711    1.3838   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    1.3335    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0277   -2.0565   -1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -0.9230   -1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.2901    1.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867    0.1037    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8989    1.7384    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806    0.0632   -1.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7322    1.3442   -0.3279 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