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
-1.2296 0.4524 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4560 -0.4889 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 -0.9401 -0.4138 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7264 -0.3286 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0694 0.5667 -0.3230 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0876 0.8832 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0491 0.7887 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5881 -0.9335 1.3539 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