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
    3.9643    0.6306   -0.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719   -0.5049    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388   -0.8031   -0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9265    0.5455    0.2405 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.1895   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    0.6437    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013    0.3940    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2822    0.1697   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559    1.3589    0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570   -1.4249   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4936   -0.3703    1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -1.0683   -1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.6899    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395   -0.3739   -1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198    1.2035    1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5525    1.1065    1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -0.4454   -1.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2231    0.4386    0.3934 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