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
   -2.9399   -0.4415    2.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472   -0.3894    1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5406   -0.1523    0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4162   -0.0646   -1.1363 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817    0.2169   -1.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    0.0495   -0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6293    0.2922   -1.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6267    0.1322   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531    0.3522    2.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106    0.4393    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3866   -1.3186    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.8240    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723   -0.9402    1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    0.5311   -2.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -0.2682    0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.6059   -2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    0.3124   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4856   -0.1810    0.7057 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