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
    4.7652    0.1555   -1.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694    0.2704   -1.3665 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246    0.0721    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200   -0.1747    1.5987 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702    0.1356    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -1.0191   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -1.0039   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192    0.1551    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3546    1.2850    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0054    1.3245    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669    0.2003    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2957   -0.8602   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1518   -0.8649   -1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094    0.8462   -1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9935    0.4016   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032   -1.9270   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446   -1.9274   -0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006    2.2009    0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6009    2.1993    0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485    1.1465    0.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301   -1.8476   -0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3900   -0.7681   -0.0366 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