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
   -3.8801    0.6532   -0.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -0.1673    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7491   -0.4098   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    1.1557   -0.1988 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227    0.8130   -0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    0.3531    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024    0.0594   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9544   -0.3975    0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8291    0.6173   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6420   -1.1731    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565    0.2647    1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409   -0.9955    0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7019   -0.9848   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866    0.9793   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464    0.1935    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3764    0.2231   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9689   -0.6206    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.5637    1.5706 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