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
   -3.3655    1.2872    0.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756   -0.0125   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722   -0.7168    0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8266    0.2422   -0.3781 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -0.4358   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8438    0.2956   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577   -0.2533    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340    0.4704   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984    1.9537   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3597   -0.5433    0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4317    0.0451   -1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944   -1.7721   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587   -0.7142    1.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240   -1.4497    0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692    1.2991   -0.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -1.2564    0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192    0.0894    0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1535    1.4712   -0.4556 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