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
   -1.7025    1.4252    1.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843    0.0322    1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -0.0323    0.0921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872   -0.2909    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102   -0.4643    1.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8092   -0.3694   -1.1107 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623   -0.7155   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    0.2014    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496    0.1801   -1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -1.0935   -1.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    1.3320    2.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728    2.0143    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    1.9747    1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.6524    2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5782   -0.3531    0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654   -1.7137   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8392    1.2335    0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563   -0.0355    0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    0.8840   -1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536    0.6074   -1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -1.6662   -1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508   -0.8200   -2.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616   -1.6780   -2.2548 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