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
2.9426 0.1060 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6429 0.0822 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6858 1.2504 -0.7924 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9845 1.2365 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6543 -0.0720 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8679 -1.2962 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6858 -1.1401 1.0179 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4642 -0.6380 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4930 0.8656 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9847 1.7136 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5913 1.9406 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4429 -0.0346 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2566 -0.1903 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6303 -1.7445 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 -2.0792 0.6346 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