Monomers

Propane, 2-(ethenylthio)-2-methyl-

Identifiers

IUPAC name
2-ethenylsulfanyl-2-methylpropane
InchI
InChI=1S/C6H12S/c1-5-7-6(2,3)4/h5H,1H2,2-4H3
InchI Key
QBBBUPLGCPJGMC-UHFFFAOYSA-N
SMILES
C=CSC(C)(C)C
Canonical SMILES
CC(C)(C)SC=C
Isomeric SMILES
CC(C)(C)SC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12S
Heavy Atom Count
7
Molecular Weight
116.229
Exact Molecular Weight
116.066
Valence Electrons
42
Radical Electrons
0
tPSA
0.0
MolLogP
2.6616
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.4602   -0.3563    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1671   -0.5218    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.4210   -0.5663 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785    0.2048   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095   -1.1816   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5154    1.1342   -0.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426    0.5622    1.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.3422   -0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734   -0.9364    0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -1.2307    1.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097   -1.1306   -0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -1.5537   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7825   -1.8332    0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849    0.6031   -1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269    2.0387   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057    1.4763   -0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2682    1.3836    1.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7534   -0.3198    1.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0074    0.8980    1.4570 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
  4  6  1  0
  4  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  5 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers