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
    3.1823    0.0422   -1.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    0.5195   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450   -0.7340    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081   -1.4764   -0.4483 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4501   -0.2876   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182   -0.5536    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    0.4472   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8600    0.2234    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199    0.6931   -1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    1.1330   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3967    1.0365    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -0.4121    1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722   -1.4325    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738    0.6731   -0.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -1.5111    0.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4891    1.4226   -0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6370    0.9591    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0327   -0.7423    0.9543 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