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
   -1.6353   -2.2487   -0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840   -1.2051    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159   -0.1601   -0.1339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247   -0.2187    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133   -1.2154    0.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443    1.0994   -0.0796 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    0.8250    0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    0.1679    1.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537    1.0210   -0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405    2.0113    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071   -3.2265   -0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4696   -2.0626   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804   -2.3717   -1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895   -0.7199    0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3977   -1.6213    1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203    1.2003   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814   -0.1937    2.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436   -0.0236    2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2005    1.4482   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    0.6742   -1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473    1.7998    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451    3.0289   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417    1.9912    0.2073 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