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
   -1.7055    2.3680    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563    1.4025   -0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7321    0.2277   -0.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    0.2465   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672    1.2676   -0.5656 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041   -1.1776    0.3668 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -0.8606    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -0.7175    1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.9664    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6376   -1.8685   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283    2.7833    0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6338    1.8081    1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    3.1184    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    1.1338   -1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8765    1.9345   -1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7824   -0.7801   -0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964   -0.5256    1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7098   -0.7972    2.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849   -1.5435    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3482   -0.7694    0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788   -2.5294   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9554   -1.2787   -1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7525   -2.4760   -1.0705 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