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
3.8713 -0.2848 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5756 -0.5214 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4734 0.6031 -0.6755 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 0.3453 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1602 1.1578 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4752 1.0039 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8009 0.0516 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8568 -0.7635 1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5364 -0.5909 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5642 -0.9608 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2359 0.5889 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2133 -1.3945 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9506 1.9104 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2867 1.6098 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8395 -0.0391 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 -1.5198 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2591 -1.1960 1.2542 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