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
-3.1946 0.8241 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8514 -0.2897 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5389 -0.9405 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3789 0.0289 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1629 -0.7528 -0.1776 S 0 0 0 0 0 6 0 0 0 0 0 0
1.1787 -1.4470 -1.5008 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 -1.8016 0.8736 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.4244 -0.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7255 0.1339 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5663 1.1036 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1691 0.6413 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4483 0.9784 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3885 1.7623 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6405 -1.0635 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9067 0.0474 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5642 -1.3963 -0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 -1.7866 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3238 0.4975 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 0.8476 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1012 -0.8671 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6313 0.9329 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2334 2.1229 -0.6173 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