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
4.8227 0.3663 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 0.9175 0.8494 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0503 -0.3092 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7013 -1.6584 -0.4965 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6061 -0.0999 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0428 0.3524 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.5682 -1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1348 0.3394 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5599 -0.1225 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 -0.3233 1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5682 0.5609 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1504 0.9836 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9834 -0.3398 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 1.2262 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0688 -0.1935 1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6846 0.5363 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6938 0.9209 -2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 -0.3097 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2601 -0.6797 2.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1412 0.3520 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2264 1.1409 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6280 1.1954 -2.0629 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