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
2.7201 -0.3136 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5359 -0.3435 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4541 -1.7275 -0.0303 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 -1.0859 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 0.4071 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8495 1.1463 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9143 0.9969 -1.2004 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1062 -1.1529 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4282 0.5103 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8208 -1.3433 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6433 -1.5528 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2929 0.6809 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6085 0.7174 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0530 2.2227 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4550 0.8380 -1.6920 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