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
    4.8765   -0.6040   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327   -1.0867   -0.0572 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    0.3682    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    1.7972    0.4691 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    0.2380    0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.1550    1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411   -0.2800    1.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1469   -0.0105    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929    0.3803   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0978    0.5051   -0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5887   -0.1457    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615    0.1015   -0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3642   -0.7784    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322    0.4533   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.1859   -0.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321   -0.3714    2.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.5912    2.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641    0.6003   -1.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976    0.8152   -1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0371   -0.4586    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420    0.4185   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4572   -0.0102   -0.4776 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