2, 5-Dithia-3, 6-Diazabicyclo [2.2.1] Heptane

2, 5-Dithia-3, 6-Diazabicyclo [2.2.1] Heptane
Compound Structure:
Synonyms: 2,5-diazabicyclo[2.2.1]heptane;672-28-6;2,5-diaza-bicyclo[2.2.1]heptane;(1S)-2,5-DIAZABICYCLO[2.2.1]HEPTANE
Compound ID: NMPC-148
PubChem ID:

3527810
Molecular Formula: C5H10N2
Canonical SMILES: C1C2CNC1CN2
InChIKey: UKHJNJFJCGBKSF-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

98.15 g/mol

XLogP3-AA

-0.6

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

98.084398327 g/mol

Monoisotopic Mass

98.084398327 g/mol

Topological Polar Surface Area

24.1Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

72.1

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Tragia benthamii
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