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
   -2.3612    0.0331    0.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547   -0.2807   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964   -0.8355   -1.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    0.3118   -1.6991 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    0.5631   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516    0.2212   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4694    0.4382    1.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    0.1038    1.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0491    0.2641    1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3459    0.5903   -1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6476   -1.0687   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -1.8292   -1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2459   -1.0665   -2.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    1.0038    0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.2214   -0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    0.8759    2.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511   -0.3425    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    0.2463    2.1350 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