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
    3.3486    0.2578    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897    0.1130   -1.0985 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381   -0.1222   -1.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582   -0.2731   -3.5542 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -0.1733   -1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -1.3013   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860   -1.3873    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5285   -0.2714    0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115    0.8713   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0418    0.8958   -1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419   -0.3828    1.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6013    0.6030    1.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1630    0.8884    1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457    0.6755    0.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025   -0.7336    1.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220   -2.1613   -0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170   -2.2974    0.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    1.7597   -0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601    1.8329   -1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268   -1.3260    1.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5090    0.4883    1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4684    1.5207    0.7476 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