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
   -3.5636   -0.5876   -0.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8134    0.3928    0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0282    1.1538   -0.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118    0.1015   -1.5614 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881   -0.5320   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6560   -0.1866   -0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -0.7071    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692   -0.3521    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -1.4484   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1339   -0.0644    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    1.1031    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4827    2.0137   -0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7715    1.5936   -1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197   -1.2265    0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9644    0.5225   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532   -1.4027    0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7708   -0.7298    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2767    0.3563   -0.7638 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