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
    2.5987    0.7022   -0.3671 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    1.7169    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755    1.2359    1.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418    0.8519    0.6828 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010   -0.5240   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823   -1.0551   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3994   -0.5328   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5005   -1.0373   -1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -0.0611    0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3266    2.0536    1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011    2.5685    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484    0.4096    2.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    2.1208    2.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -0.9182   -0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411   -1.9053   -1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892    0.3128    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4687   -0.6544   -0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4158   -1.8718   -1.7824 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