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
-1.1832 0.0907 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3195 -0.8312 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -0.6478 0.4299 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6460 0.4562 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4905 1.8077 0.3608 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 -0.1085 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7915 1.0351 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -1.8023 0.8158 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