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
3.3533 0.6426 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7279 -0.1451 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5541 -1.3844 -0.2826 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1077 -0.7166 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1813 -1.5083 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4541 -0.9818 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6872 0.3474 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6145 1.1487 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3514 0.6127 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1658 0.5579 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0615 1.3848 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9328 -0.0440 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0330 -2.5420 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3193 -1.6013 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6943 0.7775 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8207 2.1869 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 1.2651 -0.7263 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