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
-2.9386 1.0922 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0380 0.7551 1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4922 -0.9225 1.6993 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 -1.5828 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3311 -0.8207 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2211 0.3280 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3256 1.0888 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5955 0.6873 -0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7183 -0.4498 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5915 -1.2050 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3979 0.3557 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2619 2.1308 0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6151 1.5072 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -2.6673 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6699 -1.3604 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7905 0.6343 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2099 1.9879 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4215 1.3202 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7051 -0.7677 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6837 -2.1113 0.7348 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