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
    1.8059    1.5963    0.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.4680   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3003   -0.6683    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.8480    1.2881 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -1.4108    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600   -0.7892   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    0.4263    0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0922    1.0961    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707    1.3040    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    0.1422   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102    0.5809   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -1.5903    0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301   -0.3774    1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3056   -2.3068   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3460   -1.1696   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783    0.8080    1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952    1.9817    0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8109    0.7569   -0.2993 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