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
   -3.4249   -0.0976   -1.2855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120   -0.9120   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455   -0.7369    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    0.9759    0.5412 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492    1.0603    0.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    0.5770    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8682    0.6426    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360    0.1475   -0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7243    0.7967   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718   -0.7555    0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561   -1.9643   -0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9066   -0.9887   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -1.3784    0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603    1.5183    1.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    0.1145   -0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1718    1.1081    1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -0.3065   -1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7851    0.1989   -0.3463 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