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
    3.2803    0.7943    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635   -0.3616   -0.6041 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2188   -1.1444   -1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649   -2.2202   -2.4651 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170   -0.8123   -0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2457   -1.6318    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713   -1.3162    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -0.1310    0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736    0.6997   -0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732    0.3607   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114    0.1742    0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5751    1.2649    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    0.5620    1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940    0.8351    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5516    1.8141    0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -2.5558    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650   -1.9780    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205    1.6355   -0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337    1.0528   -1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755   -0.5271    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5445    1.4535    1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258    2.0315   -0.1063 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