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
3.2240 3.2377 1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 2.6620 1.0962 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7701 0.8952 0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0441 0.0614 1.4722 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7036 0.1539 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9521 -0.9047 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0588 -1.6019 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3933 -1.2504 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6207 -0.2000 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6066 0.5018 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4625 -1.9884 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7022 -1.6733 -1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5052 2.4634 2.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0195 3.3561 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0053 4.1698 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9820 -1.1927 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1136 -2.4288 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6222 0.1321 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 1.3177 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2236 -2.8102 -2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4837 -2.2429 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0371 -0.8893 -0.7963 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