Basic information
- Standard SMILES
NCCSCCc1ncccn1- InChIKey
PZPDSMQWOKSXJN-UHFFFAOYSA-N- Molecular formula
- C8H13N3S
- Average molar mass
- 183.28 g/mol
Names & identifiers
- Preferred name
- 2-[2-(2-Aminoethyl)thioethyl]pyrimidine
- IUPAC
- 2-(2-pyrimidin-2-ylethylsulfanyl)ethanamine
Names & synonyms
SCHEMBL11373178PZPDSMQWOKSXJN-UHFFFAOYSA-N2-[2-(2-aminoethyl)thioethyl]pyrmidine2-[2-(2-aminoethyl)thioethyl]pyrimidine
Database identifiers
- PubChem CID
- 20567719
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 104
Related reactions
10 records
Compound notes
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