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
3.1738 0.2074 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9295 0.3939 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7231 -0.5912 0.8984 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9642 -0.0477 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8314 -1.2868 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1128 0.8432 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4932 -0.4801 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9444 0.7989 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 1.1154 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3190 0.4598 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8343 -0.9356 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3843 -1.8843 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 -1.8627 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3068 0.7464 -1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1127 0.6170 -1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1994 1.9066 -0.2303 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