Basic information
- Standard SMILES
CCCCSc1nsnc1OC1CCNC1- InChIKey
RXIHGLVUICOBCR-UHFFFAOYSA-N- Molecular formula
- C10H17N3OS2
- Average molar mass
- 259.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-3-Butylthio-4-(3-pyrrolidinyloxy)-1,2,5-thiadiazole
- IUPAC
- 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole
Names & synonyms
SCHEMBL6915701RXIHGLVUICOBCR-UHFFFAOYSA-N(+/-)-3-Butylthio-4-(3-pyrrolidinyloxy)-1,2,5-thiadiazole
Database identifiers
- PubChem CID
- 19600352
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
7 records
Linked notes
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