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
    3.3530   -0.5197   -0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5445    0.2213    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7979   -0.6698    1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314   -1.8481    0.1869 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254   -1.0780   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.4881    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684    0.1385   -0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6577    0.7588   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624   -0.1317   -0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2133    0.8558    0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8694    0.9178   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903    0.0226    1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092   -1.2710    1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881   -1.0889   -1.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -0.4741    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    0.0857   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138    0.7845    1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4718    1.2205   -0.5985 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