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
   -0.9102    2.2282   -1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.3526    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258   -0.0517   -0.1823 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928   -0.5822   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088   -1.7955   -0.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9163    0.4290    0.2168 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168   -0.5246    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269   -0.1215    0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -0.9285   -0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -1.6129    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293    2.6236   -1.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065    3.1378   -0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5534    1.6737   -1.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2035    1.6422    0.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9632    1.5658    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4028   -1.4733   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4036   -0.7468    0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975    0.8104    1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665   -0.3571   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432   -1.7230   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160   -1.0384    1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0059   -2.5571    0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7173   -1.9508    1.3660 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