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
4.2737 0.0913 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4542 -0.1088 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7775 0.4606 0.4266 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6146 -0.8819 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7572 -0.2917 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3166 0.2096 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5911 0.7540 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3081 0.7874 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7750 0.2923 1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5058 -0.2411 1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8992 0.6077 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2938 -0.2573 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8284 -0.6344 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9068 -1.3217 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5981 -1.6460 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7173 0.1657 -2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0089 1.1423 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2940 1.2058 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3303 0.3116 2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 -0.6452 2.1045 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