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
-2.0157 0.8767 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 0.1408 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5032 -0.1900 -1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3913 -1.0888 -0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 -0.7123 0.2455 S 0 0 0 0 0 6 0 0 0 0 0 0
0.3347 -0.8427 1.6489 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9079 -1.7475 0.0626 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5650 0.7716 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7545 0.9643 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8539 0.2950 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0973 0.2155 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 1.7747 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0048 1.2911 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3535 0.7712 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0468 -0.8133 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1813 0.7453 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1081 -0.7240 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8576 -2.1101 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 -1.3228 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7787 1.7219 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8388 -0.4602 -0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7793 0.4438 0.9504 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