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
    3.9155   -0.1116    0.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   -0.0711    0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7719   -0.9937   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0727   -0.9781    0.5519 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5371    0.6715    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378    0.8746   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6078   -0.2577   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8319   -0.0635   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3819    0.7488    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964    0.9990    0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -0.3437    1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1841   -2.0138   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891   -0.6278   -1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    1.4930    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    1.8801   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2727   -1.2714   -0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9450   -1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4930   -0.8797   -1.0857 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