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
   -2.2528   -2.1132    0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8516   -0.7856    0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377   -0.1864    0.0963 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161   -0.4258    0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -1.1890    1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    0.3154   -0.3945 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -0.2014    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4223    0.6817    0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579    0.7016   -1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2171    2.1303   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440   -2.2490    0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7173   -2.9580    0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -2.0751   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933   -0.0888    0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5577   -0.9426    1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7853   -1.2486    0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3476    0.3946    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860    1.7319    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472    0.6436   -1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288    0.4028   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715    2.7346   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    2.2111    0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2735    2.5158   -0.1019 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