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
   -2.3299    1.6518    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405    1.1099   -1.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.1052   -0.5858 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7674    0.4356   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    1.6353   -0.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -0.8516    0.4965 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857   -0.2137    1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -0.2185    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747   -1.2711   -0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820   -1.6458    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9151    2.6422    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234    1.8725   -0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.9633    0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832    0.6313   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8716    1.9407   -1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    0.1828    2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720    0.1750    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -0.6032   -0.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094   -1.3990   -1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093   -1.9561   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -1.3920    0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -1.0668    1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5484   -2.7276    0.8354 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