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
4.5039 -0.0039 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4143 -0.6364 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7968 -0.2549 0.3267 S 0 0 0 0 0 0 0 0 0 0 0 0
0.5920 -0.3335 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7783 -0.0327 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 1.2539 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5570 1.5044 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3809 0.4921 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8730 -0.7947 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5882 -1.0421 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4817 0.7639 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4561 -0.2642 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4632 -1.3996 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9322 0.4305 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -1.3363 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6779 2.0960 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 2.5160 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3792 0.7203 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5073 -1.5922 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 -2.0867 -0.0959 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