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
   -2.1293    1.9043    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815    0.8262    0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -0.0757    0.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6868    0.2598   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881    1.3106    0.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -0.7964   -1.0537 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -0.1907   -1.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7338    1.0825   -1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.2679   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -2.4813    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819    2.0614    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287    1.7503   -0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206    2.8919    0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831    0.2664    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    1.2978    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997   -0.9499   -1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173    1.8078   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7715    1.3872   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -1.1849   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6051   -1.4825   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -2.5041    0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -2.5114    1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847   -3.4016   -0.2338 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