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
-1.2508 -0.4491 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4337 0.5280 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6869 0.8850 0.5168 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7900 0.3466 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0414 -0.6499 0.4192 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.0752 -0.6864 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1335 -1.0416 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 1.0674 -1.2023 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