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
3.5628 0.2126 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7200 0.2286 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3707 1.3991 -0.1169 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2180 0.5821 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8389 0.3024 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0681 -0.3291 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6926 -0.6902 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 -0.4233 -1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 0.2152 -1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4309 0.8951 -1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3956 -0.4782 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -0.4629 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 0.5938 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 -0.5327 2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6573 -1.1856 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 -0.7223 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4408 0.3953 -2.1920 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