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
2.7323 -0.8406 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4693 -0.6409 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9499 0.6722 -1.2103 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 1.4122 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3095 0.5659 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3933 -0.8779 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1743 -1.7004 0.5190 S 0 0 0 0 0 0 0 0 0 0 0 0
2.9656 -1.6574 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 -0.2368 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2888 2.3652 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 1.7697 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 0.9564 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 0.6464 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1925 -1.3326 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6613 -1.1014 -1.0014 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