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
   -1.7806   -1.5727   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -1.1203    1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942    0.1336    0.9234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790    0.1585    0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    1.2471    0.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7637   -1.3828    0.3533 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636   -1.0873   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030   -0.0585   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376    1.3393    1.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550    1.9039   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.3020   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7224   -2.6800   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732   -1.0790   -1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9742   -1.0778    1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.8775    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035   -1.7675    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    0.1149   -0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    0.6038   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176    2.1109    1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    1.1797    1.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766    2.8448    0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6181    1.2252   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336    2.1438   -0.9001 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