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
2.7975 0.1855 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0125 -0.8359 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 -0.9542 -0.7414 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8889 -0.3052 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6114 1.1783 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2323 -0.5956 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4888 0.9642 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7819 0.2277 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3341 -1.6061 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 -0.7739 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.6328 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 1.6275 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 1.2777 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1626 -0.9087 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7583 -1.4389 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8753 0.3247 -0.2357 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