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
   -1.4648    2.0021    1.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1491    1.5743    0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    0.2309    0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7487    0.0097    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285    0.9742    0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -1.6259    0.1719 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -1.5276    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8093   -0.6604    1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349   -0.9048    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -1.2208   -1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179    2.5748    1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    1.1638    2.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753    2.7160    2.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    2.2503   -0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    1.6209   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -2.2017   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858   -0.6105    1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2528    0.0513    1.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -0.7408    0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.7976    0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702   -0.3332   -2.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -1.5290   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922   -2.0161   -1.8264 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