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
   -2.0438    1.5435   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474    1.3025    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711    0.1080    0.0826 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7107    0.0980   -0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    1.1712   -0.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -1.3979   -0.0884 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3892   -1.0895   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9482    0.0595   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -1.1329    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2392   -1.2666    1.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339    2.5549   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8638    0.8277   -1.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968    1.4909   -2.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    1.3326    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8053    2.1686    0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016   -1.8115   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116    0.8433    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833    0.2686   -0.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607   -1.0964    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044   -2.0214   -0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -0.3068    2.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4605   -2.0223    2.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232   -1.6241    2.3768 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