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
    3.3451    0.7733    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.8371   -0.3336 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -1.6858   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381   -3.1571   -1.3460 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059   -1.1102   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4382    0.0251   -0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8041    0.5709   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465    0.0518    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255   -1.1034    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -1.6662    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9226    0.6596    0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876    1.7329   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711    0.5865    1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    1.2459    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1619    1.4936    0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610    0.4889   -1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    1.4639   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8482   -1.5660    1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346   -2.5631    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5495    0.1804    1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8427    2.2611   -0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3508    2.1551    0.2499 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