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
4.2762 0.3534 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4530 -0.4365 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 0.1904 0.1227 S 0 0 0 0 0 0 0 0 0 0 0 0
0.5233 -0.9082 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7779 -0.3226 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 0.5652 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6452 1.1350 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2497 0.8251 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6165 -0.0546 1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3891 -0.6271 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2777 0.0012 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 1.3524 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6981 -1.4465 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6221 -0.9881 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 -1.9464 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9454 0.8052 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0852 1.8266 -1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1914 1.3014 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0876 -0.3014 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 -1.3247 1.7985 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