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
   -1.4797    0.3240   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771   -0.3541    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -0.4082   -0.7082 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443    0.1154   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4018    0.0250    0.0414 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2558    0.3327    0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832    0.8495   -0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523   -0.8844    1.1637 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