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
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
4.9134 0.3120 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2333 -0.1684 -0.8398 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0840 0.3803 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6426 1.2163 1.6830 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 0.0853 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1993 -1.1524 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1520 -1.3924 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1105 -0.4240 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6485 0.8049 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 1.0448 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 -0.7266 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4862 0.1304 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5259 -0.5193 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4259 0.6571 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9801 1.1605 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9407 -1.9249 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 -2.3686 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 1.5951 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0482 2.0222 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8135 -1.7374 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5268 -0.1310 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2768 1.1361 0.4330 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