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
2.8755 0.1772 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5730 0.2039 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6908 -1.0975 -1.3670 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0086 -1.2495 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3561 -0.2026 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1253 1.1995 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6313 1.5918 0.0923 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3552 0.9925 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4183 -0.6892 -0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 -2.2400 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6691 -1.2214 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4270 -0.3123 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -0.3655 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7340 1.8981 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3124 1.3150 -1.3150 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