Basic information
- CAS
1248106-67-3- Standard SMILES
C1CC(Sc2nnnn2C2CC2)CN1- InChIKey
SPOJEFKILBMKRI-UHFFFAOYSA-N- Molecular formula
- C8H13N5S
- Average molar mass
- 211.29 g/mol
- Monoisotopic mass
- 211.08916661
Names & identifiers
- Preferred name
- 1-Cyclopropyl-5-(3-pyrrolidinylthio)-1H-tetrazole
- IUPAC
- 1-cyclopropyl-5-pyrrolidin-3-ylsulfanyltetrazole
Names & synonyms
DTXSID601233874AKOS0116129181-Cyclopropyl-5-(3-pyrrolidinylthio)-1H-tetrazole1-Cyclopropyl-5-[(pyrrolidin-3-yl)sulfanyl]-1H-tetrazole1248106-67-3
Database identifiers
- CAS
1248106-67-3- PubChem CID
- 62328643
- DTXSID
DTXSID601233874
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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