Monomers
2-Methylene-1,3-dithiane
Identifiers
IUPAC name
2-methylidene-1,3-dithiane
InchI
InChI=1S/C5H8S2/c1-5-6-3-2-4-7-5/h1-4H2
InchI Key
KMGDTZJDQRIOMR-UHFFFAOYSA-N
SMILES
C=C1SCCCS1
Canonical SMILES
C=C1SCCCS1
Isomeric SMILES
C=C1SCCCS1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8S2
Heavy Atom Count
7
Molecular Weight
132.253
Exact Molecular Weight
132.0067
Valence Electrons
40
Radical Electrons
0
tPSA
0.0
MolLogP
2.3277
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
2.7195 0.1357 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4252 0.0922 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 -1.3949 -0.7277 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1149 -1.3409 -0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3813 -0.0792 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3316 1.2047 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5177 1.5700 0.5961 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3313 -0.6995 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2493 0.9679 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -2.2495 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5112 -1.5471 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7841 -0.4341 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8293 0.3719 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7779 1.3503 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 2.0527 -0.0772 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
5 6 1 0
6 7 1 0
7 2 1 0
1 8 1 0
1 9 1 0
4 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers