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
    0.0821   -1.3838    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1641   -0.8715   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    0.3865   -0.7282 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575    1.6171   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756    2.6781   -0.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341    1.8795   -0.1660 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365    0.4668    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130   -0.0753    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9131    0.4206   -1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7686    0.4506    0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9087   -2.1102    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.9331    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726   -0.5655    1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4166   -1.5996   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -0.9147   -0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -0.0273   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134    0.3538    2.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411   -0.9491    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334    1.3466   -1.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -0.5044   -1.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6693   -0.2184    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0613    1.4907    0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071    0.0626    1.0197 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