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
2.9157 -0.2642 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 -0.1043 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6273 1.1452 0.5353 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 1.3384 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6486 0.1237 -0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9779 -1.1863 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7288 -1.1814 -1.3454 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5204 -1.0142 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3896 0.4475 0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5625 1.7410 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4600 2.1396 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4030 0.1007 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2903 0.2925 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0816 -1.7433 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5550 -1.8347 -1.4994 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