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
    3.9594   -0.6523   -0.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546    0.0444   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047    0.0325    1.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.9454    1.2556 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257    0.1026    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097    0.4142    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8143   -0.3202   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1046   -0.0259   -0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5990   -0.1346    0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844    1.0866   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902   -0.4937   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -1.0367    1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.5004    2.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435   -0.7151   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2436    1.2247    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104   -1.1186   -1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7377   -0.6107   -1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5432    0.7568   -0.1534 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