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
2.8700 -0.0596 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 -0.1490 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6652 -1.6275 -0.3319 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9975 -1.2224 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5374 0.0427 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9171 1.2940 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 1.2142 0.6115 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3747 -0.9012 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4542 0.8448 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 -2.0544 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 -1.1634 1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6415 0.0512 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4561 -0.0397 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0615 2.0968 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5080 1.6735 1.0230 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