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
   -1.7789   -2.0950    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.8957   -0.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610    0.1197   -0.3822 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5910    0.2115   -0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738   -0.5931   -1.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084    1.5416   -0.1522 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2637    1.4917   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9044    0.3560   -0.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3187    1.1223    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    0.6330    1.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -2.8855   -0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840   -2.5781   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542   -1.8704    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -1.1729   -1.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6769   -0.4252   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    2.4119   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202   -0.5745   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    0.2779   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    2.0529    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3892    1.3209    0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977    1.4675    2.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466   -0.1414    2.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024    0.2249    2.2834 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