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
   -2.2971    1.4015   -0.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0927    0.4197   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779   -0.9353   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -0.6927    1.0612 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028    0.0111    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3510    0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150    0.1102   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844   -0.2426    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7341    1.8724   -0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9247    0.2344   -0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942    0.6561    0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0405   -1.7099    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -1.1532   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327    0.6948   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -1.1192    1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076    0.7998   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784   -0.4826    0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    0.4864   -0.7868 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