N,N-DIMETHYL-1,3-DITHIAN-5-AMINE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key WIHCFIALDSKTTF-UHFFFAOYSA-N
Smiles CN(C)C1CSCSC1
InChI
InChI=1S/C6H13NS2/c1-7(2)6-3-8-5-9-4-6/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NS2
Molecular Weight 163.3
AlogP 1.38
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 53.84
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 9.0

Cross References

Resources Reference
ChEMBL CHEMBL2285756
PubChem 15710269
SureChEMBL SCHEMBL10650779
CONTENTS