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
   -2.3880   -0.6871   -1.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    0.1194   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663    0.9558    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642   -0.0535    1.3287 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058   -0.9302    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844   -0.7196   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120    0.2176    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731    0.3685    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9826   -1.4690   -1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3944   -0.4772    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5911    0.8307   -0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326    1.6207   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2499    1.5218    1.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614   -1.6497   -0.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -1.3110   -1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    0.8251    1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4202    1.0645    0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1736   -0.2270   -0.6575 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