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
   -3.5882    1.1589   -0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4033   -0.1330   -0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213   -0.7043    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.3822   -0.2492 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6551   -0.1340    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153    0.2961    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0606   -0.0951    0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    0.3418    0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031    1.5289    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2902   -0.7614   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0234   -0.0190   -1.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -0.6216    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673   -1.7378   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615   -0.7842    1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.9537   -0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359   -0.7413    1.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    1.0034   -0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432    0.0666    0.8373 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