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
2.8332 -0.1041 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5650 0.2259 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 1.1170 1.1452 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 0.7730 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2202 -0.5883 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1888 -0.3589 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5442 -0.1928 -1.6091 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2975 -0.6373 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4019 0.1647 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4522 1.5725 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5142 0.8504 1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1927 -1.0393 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4183 -1.2863 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 -1.1262 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6787 0.6297 -1.3237 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