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
   -1.5247    2.4398    0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069    1.3293   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747    0.5223   -0.3345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106    0.8611   -1.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2841    1.9004   -1.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263    0.0550   -1.5665 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553   -1.3833   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479   -1.3778    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4044   -0.5828    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822   -1.8550   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574    2.1704    1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668    2.7752    0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    3.2878    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    1.8015   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5575    0.7049    0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648   -2.2866   -0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9534   -0.4995    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5712   -2.2416    0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -0.3368    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.7625    0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669   -1.7298   -1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0039   -2.0379    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899   -2.7543    0.2454 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