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
   -2.0069    0.7436   -0.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8588   -0.2181    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -1.5475   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980   -1.5156    0.8093 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5755   -0.4492   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638   -0.0174    0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.8657   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    1.2780    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177    1.6281   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1123    0.0722    1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7804   -0.2662   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -2.3829    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964   -1.7550   -1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595   -0.1540   -1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609   -0.3279    1.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    1.1341   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3948    1.9213   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277    0.9908    1.4447 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