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
    4.7466   -0.9871    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239   -0.8598    0.7043 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -0.0615   -0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399    0.4039   -1.9533 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695    0.1444   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634   -0.9336   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5228   -0.7259   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.5366    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.6034   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    1.4183   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.7740    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3336   -0.1876    0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3993   -1.2062    1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -0.0561   -0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7757   -1.8007   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132   -1.9420   -0.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582   -1.6008    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508    2.6005    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317    2.2947   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8209    1.7977    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4007    0.0296    0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1162   -1.2419    0.3609 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