(2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
Basic information
- CAS
57381-64-3- Standard SMILES
S=C(c1c(Cl)cccc1Cl)N1CN2CCCN(C2)C1- InChIKey
MHXKHIKAGJMKRN-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2N3S
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 315.0363741
Names & identifiers
- Preferred name
- (2,6-Dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
- IUPAC
- (2,6-dichlorophenyl)-(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
Names & synonyms
NSC29824657381-64-3DTXSID80315927NSC-298246(2,6-Dichlorophenyl)(1,3,5-triazabicyclo[3.3.1]nonan-3-yl)methanethione
Database identifiers
- CAS
57381-64-3- PubChem CID
- 326580
- DTXSID
DTXSID80315927
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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