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
2.8988 -0.1143 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6257 0.1849 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5825 -0.1013 -1.4906 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -0.7091 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 -0.2878 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9586 1.0136 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 0.8765 1.3482 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5296 0.0589 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3073 -0.5273 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 -0.3813 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9964 -1.8354 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6160 -0.1871 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 -1.0866 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5106 1.2506 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1202 1.8458 0.1581 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