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
3.9963 0.8756 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4969 -0.3382 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7848 -0.5631 0.6934 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7826 0.0062 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6736 -0.1469 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3818 -1.2757 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7247 -1.3236 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3604 -0.2493 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6728 0.8986 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3148 0.9187 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3815 1.7606 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0364 1.1013 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1083 -1.1848 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0047 1.0710 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9905 -0.5538 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8458 -2.0890 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3134 -2.1938 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4314 -0.2948 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1166 1.7562 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7467 1.8249 0.4391 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