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
   -1.4311   -2.5015   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -1.1513    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606   -0.1642   -0.0486 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898    0.0716    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -0.5987    1.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.3057   -0.5107 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3077    1.4120    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    0.3079    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426    0.6205   -1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614    1.8530   -0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -2.7002   -0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6649   -3.2715    0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -2.5390   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1339   -1.2614    1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399   -0.7701    0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7698    2.3483    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    0.3136    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -0.6537    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    0.9145   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788    0.0485   -1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653    1.6541    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    2.6270   -0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    2.1349   -1.0257 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