Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 53075G8GRF
EPA CompTox DTXSID1024174

Structure

InChI Key ZOKXUAHZSKEQSS-UHFFFAOYSA-N
Smiles CCCCSP(=O)(SCCCC)SCCCC
InChI
InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27O1P1S3
Molecular Weight 314.1
AlogP 6.69
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 78-48-8
NORMAN SUSDAT
FDA SRS 53075G8GRF
PubChem 5125
ChemSpider 4944.0