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
-3.4089 -0.2525 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4497 0.8596 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0363 0.3784 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 -0.3355 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 -0.8951 0.4025 S 0 0 0 0 0 6 0 0 0 0 0 0
1.1409 -1.7813 -0.8046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 -1.6245 1.6287 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1547 0.4488 0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2205 0.2575 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4456 0.3442 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0879 -1.2394 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3909 -0.0513 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6891 -0.2658 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 1.5382 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8154 1.4987 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 -0.2250 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4096 1.2924 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1449 -1.1621 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5197 0.4126 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0215 0.0414 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3191 0.1996 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6710 0.5609 0.7043 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