3-Isocyano-7,9-bisaboladiene; Isothiocyanate, 7S,8S-epoxide
AlkaPlorer ID: AK302821
Synonym: 7,8-Epoxythionelline isothiocyanate
IUPAC Name: None
Structure
SMILES: CC(C)/C=C/C1OC1(C)C1CCC(C)(N=C=S)CC1
InChI: InChI=1S/C16H25NOS/c1-12(2)5-6-14-16(4,18-14)13-7-9-15(3,10-8-13)17-11-19/h5-6,12-14H,7-10H2,1-4H3/b6-5+
InChIKey: KDUAXUPCJBAPHQ-AATRIKPKSA-N
Reference
CAS: 1202650-69-8
Source
Properties Information
Molecule Weight: 279.449
TPSA？: 24.89
MolLogP？: 4.407800000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
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