Monomers
4-Ethenylbenzene-1-thiol
Identifiers
IUPAC name
4-ethenylbenzenethiol
InchI
InChI=1S/C8H8S/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InchI Key
KCCWFTFCEHVSTM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)S
Canonical SMILES
C=CC1=CC=C(C=C1)S
Isomeric SMILES
C=CC1=CC=C(C=C1)S
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
2.6183
H Bond Acceptors
1
H Bond Donors
1
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
-2.9483 0.8424 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.2339 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7908 -0.1947 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0515 -1.3736 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 -1.4231 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0277 -0.2961 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3210 0.8688 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0702 0.9161 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8097 -0.3601 0.4394 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.5055 1.7683 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0114 0.7974 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7361 -1.1663 -0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 -2.2613 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -2.3496 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8739 1.7669 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5715 1.8606 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3190 0.8383 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 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