Monomers
Benzyl vinyl sulfide
Identifiers
IUPAC name
ethenylsulfanylmethylbenzene
InchI
InChI=1S/C9H10S/c1-2-10-8-9-6-4-3-5-7-9/h2-7H,1,8H2
InchI Key
RYZCGQUXJPHSSF-UHFFFAOYSA-N
SMILES
C=CSCc1ccccc1
Canonical SMILES
C=CSCC1=CC=CC=C1
Isomeric SMILES
C=CSCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10S
Heavy Atom Count
10
Molecular Weight
150.246
Exact Molecular Weight
150.0503
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.0633
H Bond Acceptors
1
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
20 20 0 0 0 0 0 0 0 0999 V2000
-3.1950 0.7692 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6654 -0.1466 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6937 -1.4440 -1.0031 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3049 -1.9163 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6395 -0.7694 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 -0.5890 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5188 0.4936 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3497 1.4257 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 1.2439 1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4776 0.1764 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 0.7434 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7817 1.5574 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8321 -0.0908 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2521 -2.7232 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6427 -2.2817 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 -1.3030 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 0.6169 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9918 2.2786 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1264 1.9416 2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3493 0.0172 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers