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
3.0570 -0.2351 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0188 -0.9193 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 -0.3571 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3757 -1.1734 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6698 -0.7060 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 0.6113 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8788 1.4465 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4129 0.9531 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5406 1.2660 -0.4055 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 -0.7159 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 0.8012 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1575 -1.9633 -0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2000 -2.2110 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4932 -1.3564 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0658 2.4960 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2014 1.6135 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4881 0.4499 0.1953 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