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
   -1.7871   -1.9566   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119   -1.3761    0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441   -0.1339    0.6012 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8316   -0.0914    0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -1.1680    0.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140    1.4420    0.0639 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4210    1.1757   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123    0.1179   -0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544    1.1180    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268    1.5536   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225   -3.0582   -0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8304   -1.6749   -0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1198   -1.6604   -1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096   -2.1013    1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758   -1.1865    1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671    1.8793    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1132   -0.6144   -1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681   -0.0563   -1.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227    1.0152    1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903    1.9201    1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220    2.0129   -1.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    2.2326   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.6108   -1.1544 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