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
   -1.8005   -1.7430   -0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -1.1174    0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    0.1536    0.5183 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    0.2319    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    1.3586   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298   -1.2166   -0.0879 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585   -0.7536   -0.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0158    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3174    1.3546    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417    1.7345   -0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -1.8732   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4162   -2.7668   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522   -1.1572   -1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053   -1.0471    1.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -1.8651    1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -1.1094   -1.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9262    0.4020    1.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437    0.3092   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.1948    1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7162    2.2328    0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3882    2.7904   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572    1.1380   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576    1.7333   -1.4782 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