Monomers
Ethenyl butane-1-sulfonate
Identifiers
IUPAC name
ethenyl butane-1-sulfonate
InchI
InChI=1S/C6H12O3S/c1-3-5-6-10(7,8)9-4-2/h4H,2-3,5-6H2,1H3
InchI Key
RLBAVXBAWIWOCS-UHFFFAOYSA-N
SMILES
CCCCS(=O)(=O)OC=C
Canonical SMILES
CCCCS(=O)(=O)OC=C
Isomeric SMILES
CCCCS(=O)(=O)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12O3S
Heavy Atom Count
10
Molecular Weight
164.226
Exact Molecular Weight
164.0507
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
1.2764
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
22 21 0 0 0 0 0 0 0 0999 V2000
3.5912 0.2470 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3693 0.8131 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2174 -0.1620 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0591 0.5438 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3587 -0.5292 1.0812 S 0 0 0 0 0 6 0 0 0 0 0 0
-2.4791 0.2439 1.7146 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 -1.6852 1.9511 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8723 -1.0150 -0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2179 -1.1117 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9867 -0.0545 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0507 1.0494 -1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3564 -0.0061 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3725 -0.6443 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6251 1.1478 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0172 1.7093 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 -0.4438 -0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4405 -1.0633 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 1.5095 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 0.7249 2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6625 -2.0356 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5538 0.8727 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0357 -0.1106 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 2 0
5 8 1 0
8 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
3 17 1 0
4 18 1 0
4 19 1 0
9 20 1 0
10 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers