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
   -1.3925    2.1410   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3286    0.6204   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486    0.1297    0.2333 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6642   -0.0469    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -0.4795    1.2913 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876    0.3168   -1.1649 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -0.0181   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0080   -1.1353   -1.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   -0.1953    1.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287   -1.6069    1.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611    2.5549   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    2.4794   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960    2.5510    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7044    0.2934   -1.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3555    0.2507   -1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    0.7475   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386   -1.2799   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   -1.9002   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3541    0.4902    1.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168    0.0396    2.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2469   -1.7807    2.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -2.3145    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855   -1.8574    0.8928 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