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
2.7601 0.1587 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 -0.0180 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7152 1.3256 0.7543 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 1.2035 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -0.1710 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8212 -1.2234 0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8340 -1.6174 0.1838 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1744 1.1353 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2740 -0.6665 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 1.7948 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1328 1.7553 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5883 -0.1863 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 -0.5072 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4603 -2.1231 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7420 -0.8603 1.9160 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