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
   -2.0162    2.0791    1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7429    1.2317    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6903    0.2659    0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723    0.5305   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868    1.6304   -0.5067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -0.7645    0.1966 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.1420   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523   -0.7690   -1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613   -1.0364    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033   -2.0083   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136    3.0699    0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7884    1.6602    1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405    2.3100    1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    0.6907   -0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4381    1.8546   -0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786    0.7288    0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762   -1.6509   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.4334   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312   -0.9257    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2634   -1.5086    1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -1.9253   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939   -1.8596   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122   -3.0282    0.0939 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