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
2.8545 0.8121 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9784 0.7426 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8305 -0.5948 0.7835 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.4368 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4509 0.7752 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4950 -1.6582 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9312 0.0297 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5102 1.6571 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9237 1.5480 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3859 -0.2917 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 0.6998 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4370 0.7855 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 1.7040 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 -1.4606 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8152 -2.5399 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2179 -1.7721 -0.8337 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