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
3.4299 0.4020 -0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7101 -0.1976 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4969 -1.4008 -0.2233 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1328 -0.7140 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8325 -0.8485 1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1056 -0.3241 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7229 0.3524 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0232 0.4825 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7515 -0.0371 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3105 0.1891 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1658 1.1309 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8454 0.0295 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3302 -1.3854 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6254 -0.4524 2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7123 0.7521 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 1.0141 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 0.0749 -2.0372 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