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
   -1.8577    1.2800    1.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755    1.0295   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401   -0.1144   -0.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    0.0217   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997   -0.9990   -0.3866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    1.5939    0.0567 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259    1.3354    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    0.5160   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019   -1.4145   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -2.1665    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721    2.1194    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    1.5995    1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219    0.4238    1.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4390    0.9682   -0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967    1.9832   -0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9323    1.8291    0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    0.3634   -0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2085    0.0202   -1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   -1.3633   -1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.9980   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446   -1.6204    1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587   -3.1754    0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204   -2.2319    1.0373 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