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
-1.3935 -0.1943 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3149 0.5390 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9284 -0.0792 0.5771 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6767 -0.5139 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 -0.4089 -1.1611 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 -1.2674 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3491 0.2960 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 1.6287 0.2966 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