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
-3.7042 0.5824 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6687 -0.1324 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7798 0.3197 -1.4772 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2808 -0.6234 -1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6877 -0.2957 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 0.7322 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4742 1.0548 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5514 0.3866 1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -0.6423 1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7257 -0.9937 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9986 1.4366 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2969 0.3742 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3746 -0.9860 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1773 -0.3461 -2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4589 -1.7185 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5689 1.3178 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1815 1.8789 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2812 0.6540 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6847 -1.1852 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0171 -1.8137 0.7069 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