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
-1.2102 0.5557 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5087 -0.5278 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6237 -0.9037 -0.5868 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7986 -0.4649 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0860 0.4846 -0.1497 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9029 1.1691 -0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0733 0.8431 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8132 -1.1561 0.9901 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