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
   -2.7727   -0.8241    0.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -0.1194   -0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108    1.2235   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3014    1.0255    0.2942 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861    0.1871   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.3010   -0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967   -0.1989    0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.6877    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6925   -0.9226    1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0566   -0.7200   -1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7046   -0.0104   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314    1.6502   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5849    1.8993    0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728    0.0828   -1.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395   -0.8030   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    0.3056    1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1222   -0.5991    1.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376   -1.1877    0.0856 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