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
-4.9311 -0.0744 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3017 -0.1520 -0.5784 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.0679 0.1143 0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 0.3739 2.2021 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 0.1125 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1104 -1.0289 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4801 -1.0099 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1284 0.1856 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3935 1.3732 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0493 1.2992 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5598 0.2732 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3040 -0.7921 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6683 0.2291 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0118 0.6838 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2514 -1.0384 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3861 -1.9820 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 -1.9545 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8986 2.3257 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4721 2.2607 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0319 1.2525 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3758 -0.6657 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9313 -1.7859 -0.5077 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