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
   -2.3470    1.5323    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142    1.1149   -0.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4988    0.0751   -0.5898 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.4081   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    1.5991    0.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -0.8880    0.4310 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -0.2391    1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.3445    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873   -1.2972   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6070   -1.8627    0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    0.8006    0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8456    2.4798   -0.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8281    1.7562    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360    0.8210   -1.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    2.0142   -1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442   -0.3424    2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253    0.7223    0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    0.4724   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0289   -1.9582   -1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111   -1.4163   -1.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1159   -1.6039    1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908   -2.9819    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6703   -1.5505    0.3772 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