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
-3.0861 1.3191 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7417 0.5775 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 1.5081 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7579 0.8758 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9923 -0.3818 -1.1097 S 0 0 0 0 0 6 0 0 0 0 0 0
0.0034 -1.5105 -0.9312 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7952 0.1981 -2.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5490 -1.0639 -1.0348 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 -2.1598 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3098 -2.4187 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8583 0.5330 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 1.8283 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1186 1.9805 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 -0.1505 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 0.0287 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6476 2.3149 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 1.9727 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 1.7078 -0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9978 0.5384 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6171 -2.8384 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5493 -1.7862 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 -3.2998 1.4442 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