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
3.0597 0.5933 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8033 -0.5259 -0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4158 -1.5823 -0.4334 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 -0.7212 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 0.6000 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4032 1.2454 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5691 0.5629 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 -0.7563 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2947 -1.3866 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9111 1.2029 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3761 0.8927 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -0.8437 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7595 1.0982 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4032 2.2931 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5448 1.0643 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4539 -1.2977 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2971 -2.4391 -0.8575 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