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
2.9209 -0.1316 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6186 -0.1071 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5929 -0.9249 1.2903 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0097 -1.1658 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 0.1030 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8709 1.2285 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6675 0.7139 -1.2060 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4627 -0.6347 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 0.3962 -0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6561 -1.8242 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7753 -1.6904 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2772 0.4103 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4383 -0.1379 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5590 1.8478 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4467 1.9169 -1.0488 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