Monomers
Phenyl vinyl sulfide
Identifiers
IUPAC name
ethenylsulfanylbenzene
InchI
InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
GMPDOIGGGXSAPL-UHFFFAOYSA-N
SMILES
C=CSc1ccccc1
Canonical SMILES
C=CSC1=CC=CC=C1
Isomeric SMILES
C=CSC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8S
Heavy Atom Count
9
Molecular Weight
136.219
Exact Molecular Weight
136.0347
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.9222
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
17 17 0 0 0 0 0 0 0 0999 V2000
-3.6723 0.2783 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6505 -0.4389 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5700 0.1989 -1.3623 S 0 0 0 0 0 0 0 0 0 0 0 0
0.1273 0.1310 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8588 -0.9927 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1763 -1.0909 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7961 -0.0504 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0589 1.0650 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7331 1.1694 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3030 -0.1286 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8643 1.2524 -0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 -1.4222 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3842 -1.8246 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7308 -1.9921 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8479 -0.1222 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5790 1.8736 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2095 2.0941 0.0255 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 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers