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
   -0.0475   -2.2697    1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -1.5193    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.1054    0.2870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    0.6819   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    1.9488   -0.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6491   -0.0759   -1.0908 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    1.1461   -1.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1311    0.9418   -1.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    0.6027    0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263    1.0616    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873   -2.3988    2.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772   -1.7570    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2358   -3.2852    0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884   -1.7229   -0.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7528   -1.9575   -0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    2.0973   -2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4837    0.0230   -0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674    1.6688   -1.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2200   -0.0969    1.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878    1.4526    1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7676    0.3290    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5951    1.2420   -0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3566    1.9929    0.5593 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