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
2.9038 0.3428 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6174 0.2271 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5311 1.6329 0.1088 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0600 0.8769 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5420 0.0321 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8986 -1.2985 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8059 -1.3685 -0.1037 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3753 1.3165 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4919 -0.5509 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7541 1.6960 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8526 0.2787 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4607 0.6052 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6543 -0.0998 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0236 -1.6634 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -2.0273 0.0175 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