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
4.9226 0.4786 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2398 0.6045 -0.8323 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1085 -0.0727 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 -0.6791 1.7432 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 -0.1283 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1971 0.8223 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5755 0.7588 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1327 -0.2678 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2674 -1.2429 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0734 -1.1577 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5723 -0.4171 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4113 0.4658 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0462 1.1999 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6890 0.6637 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1134 -0.5450 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1946 1.6517 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2203 1.5219 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6676 -2.0729 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7816 -1.9089 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9113 -1.2954 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0992 1.3124 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4662 0.3083 -0.2511 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