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
-2.9605 1.1572 -1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6561 0.2262 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9381 -1.3331 -0.8923 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -1.7843 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4583 -0.8188 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5684 -1.0039 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6371 -0.1318 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5550 0.9849 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4710 1.2283 1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.3208 1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7922 1.0311 -2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4007 2.1183 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 0.4440 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1306 -1.7790 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2547 -2.7840 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5715 -1.8986 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5064 -0.2835 -1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.6858 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4889 2.1261 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4210 0.4943 1.7564 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