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
2.5215 0.3579 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1326 -0.8967 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4359 -1.3326 -0.2728 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7105 -0.1625 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6935 1.1182 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 -0.7851 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6033 0.5703 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9145 1.2328 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8506 -1.7121 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5161 0.0033 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7541 1.4028 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2677 1.9634 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1741 1.0520 -1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8733 -0.1416 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0985 -1.8223 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2632 -0.8476 -0.7953 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