Monomers
Propane, 2-ethenylthio-
Identifiers
IUPAC name
2-ethenylsulfanylpropane
InchI
InChI=1S/C5H10S/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
InchI Key
KENPNZJNGZPRCQ-UHFFFAOYSA-N
SMILES
C=CSC(C)C
Canonical SMILES
CC(C)SC=C
Isomeric SMILES
CC(C)SC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10S
Heavy Atom Count
6
Molecular Weight
102.202
Exact Molecular Weight
102.0503
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.2715
H Bond Acceptors
1
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
16 15 0 0 0 0 0 0 0 0999 V2000
2.8898 0.1192 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0712 -0.7464 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5282 -1.1897 -0.2325 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8623 -0.1904 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 1.2500 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1144 -0.7875 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8314 0.3512 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7034 0.6284 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3424 -1.2041 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0247 -0.2204 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 1.7480 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0928 1.7902 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8554 1.2634 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0510 -1.8863 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0796 -0.5872 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9759 -0.3385 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
6 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers