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
   -1.2324    2.2055   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746    0.9589    0.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896   -0.1661   -0.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5508   -0.4845   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -1.4831   -1.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9072    0.4928    0.3368 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4488   -0.1793   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126    0.6281   -0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -0.9719   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319   -2.1254    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2863    2.7867   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    1.8970   -1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133    2.8820    0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893    1.1247    1.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657    0.8133    1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -1.2398   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    1.6895   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3631    0.2376   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.4110   -1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7423   -0.3768   -0.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8510   -1.7968    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342   -2.6891    0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903   -2.7920   -0.2917 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