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
-4.2615 0.3875 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3963 -0.3666 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 0.0906 0.7910 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 -0.7229 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7378 -0.2579 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1994 0.8454 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5089 1.3064 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3199 0.6132 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 -0.4937 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 -0.9378 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9148 1.2959 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2798 0.1114 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7405 -1.2973 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -0.4334 -1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6985 -1.8320 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5204 1.3570 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8321 2.1736 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3263 0.9617 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5496 -1.0002 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2292 -1.8009 1.1809 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