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
   -2.7341    1.1164   -0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767    0.5864    0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7888   -0.0692    0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4051    0.6845   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4512    1.9093    0.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -0.0972   -0.7617 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    1.0688   -0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    0.8815   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -1.4789   -0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854   -2.2721    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1525    2.1250   -0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    1.2115   -1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5206    0.3812   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5854   -0.0775    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    1.4217    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    1.9296   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020    0.0374    0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1302    1.6090   -0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928   -1.7538   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056   -1.7389   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -2.5371    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -3.2330    0.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697   -1.7047    1.8505 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