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
4.6918 -0.2369 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2490 -0.2921 -0.0867 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 0.2228 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8465 0.6570 -2.5149 S 0 0 0 0 0 0 0 0 0 0 0 0
0.5087 0.2402 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2376 1.2524 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9720 1.2110 1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9064 0.2017 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6127 -0.7934 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3886 -0.7601 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1714 0.2019 1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0604 -0.7262 1.5931 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3993 -1.0441 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3787 -0.4421 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1625 0.7600 -1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9445 2.0340 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2365 1.9770 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3020 -1.6237 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1918 -1.5767 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3806 0.9937 2.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9679 -1.5677 0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0083 -0.6885 2.1502 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