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
2.9575 0.2216 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6381 0.1719 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7673 -1.0554 -0.9330 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 -1.2167 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5482 -0.2309 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0179 1.1538 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6734 1.3351 0.9079 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 -0.5037 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5033 0.9980 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1144 -2.2320 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5184 -1.2560 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5065 -0.5875 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6419 -0.1535 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6609 1.7906 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0839 1.5646 -0.7060 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