Monomers

CID 56624510

Identifiers

IUPAC name
S-ethenyl N,N-diethylcarbamothioate
InchI
InChI=1S/C7H13NOS/c1-4-8(5-2)7(9)10-6-3/h6H,3-5H2,1-2H3
InchI Key
GPGQJIMMLKCQJT-UHFFFAOYSA-N
SMILES
CCN(C(=O)SC=C)CC
Canonical SMILES
CCN(CC)C(=O)SC=C
Isomeric SMILES
CCN(CC)C(=O)SC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NOS
Heavy Atom Count
10
Molecular Weight
159.254
Exact Molecular Weight
159.0718
Valence Electrons
58
Radical Electrons
0
tPSA
20.31
MolLogP
2.3249
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.5366   -2.1048   -1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3632   -1.4746    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -0.2247    0.2327 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7646   -0.1033    0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4569   -1.1562    0.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5680    1.4780    0.2703 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    1.2129    0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885    0.6990    1.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4088    0.9836    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022    1.3486   -1.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1028   -1.4728   -1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040   -2.2084   -1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676   -3.0995   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8393   -2.1835    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507   -1.2837    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551    1.4861   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1295    0.4389    2.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8524    0.5405    1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120    0.8235    0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9612    1.8556    0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    1.3871   -1.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2866    0.6695   -1.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0058    2.3881   -1.4017 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  3  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 10 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers