Monomers

2-Buta-1,3-dienylsulfanylethanol

Identifiers

IUPAC name
2-buta-1,3-dienylsulfanylethanol
InchI
InChI=1S/C6H10OS/c1-2-3-5-8-6-4-7/h2-3,5,7H,1,4,6H2
InchI Key
NDEADNNLCSBJDD-UHFFFAOYSA-N
SMILES
OCCSC=CC=C
Canonical SMILES
C=CC=CSCCO
Isomeric SMILES
C=CC=CSCCO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10OS
Heavy Atom Count
8
Molecular Weight
130.212
Exact Molecular Weight
130.0452
Valence Electrons
46
Radical Electrons
0
tPSA
20.23
MolLogP
1.4116
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.2949    0.7278    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6738    0.0070   -0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9319   -1.3280   -0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384   -1.0762   -0.7610 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011   -0.2881    0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846    0.2799    0.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    0.2538   -0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550    0.8245   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827    1.6835    0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5174    0.5615   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491   -0.2396   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2045   -1.8151    0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2194   -1.9648   -1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2973   -0.2998    1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    0.7534    1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816   -0.2096   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9831    1.3023    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3378    0.8274   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers