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
   -1.2357    1.6685   -1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741    0.2244   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115   -0.0947    0.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    0.0554    0.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269   -0.2058    1.9618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.6314   -0.1620 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    0.7637    0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4597    0.3156    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300   -0.5631    0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423   -2.0823    0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.2432   -1.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5469    2.1531   -0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    1.7590   -2.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -0.0083   -1.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.4514   -1.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213    1.2054    1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5149   -0.1305   -0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    0.3771    0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9347   -0.1958    0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334   -0.3193    1.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278   -2.4099   -0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -2.4095    0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608   -2.5262    1.4845 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