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
   -1.2175   -2.4199    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823   -1.2305   -0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    0.0034   -0.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622    0.4314    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045    1.4972    0.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.5791   -0.0798 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    0.1974    0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674    0.5293   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485    0.8430    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900    1.8386   -0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -3.1909   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2048   -2.8868   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2805   -2.0855    1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7758   -1.1536   -1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0229   -1.3995   -1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909    0.4119    1.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372    0.9967    0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708    0.3414   -1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980    1.3820    1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902    0.2646    0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907    1.2448   -1.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370    2.5300   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1434    2.4342   -1.0025 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