Monomers

Isothiocyanatoethene

Identifiers

IUPAC name
isothiocyanatoethene
InchI
InChI=1S/C3H3NS/c1-2-4-3-5/h2H,1H2
InchI Key
VJCLZQUHGQSTMZ-UHFFFAOYSA-N
SMILES
C=CN=C=S
Canonical SMILES
C=CN=C=S
Isomeric SMILES
C=CN=C=S
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H3NS
Heavy Atom Count
5
Molecular Weight
85.131
Exact Molecular Weight
84.9986
Valence Electrons
26
Radical Electrons
0
tPSA
12.36
MolLogP
1.2327
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

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.4308   -0.1708    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268    0.4963   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978   -0.0345   -0.8653 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782   -0.3822   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016   -0.3995    0.2158 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5851   -1.1548   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467    0.1898    0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884    1.4556    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  2  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers