4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
Basic information
- CAS
115596-50-4- Standard SMILES
CC1(C)CC(c2c(N)n[nH]c2N)CCS1- InChIKey
XAAHQVGOVZKCSV-UHFFFAOYSA-N- Molecular formula
- C10H18N4S
- Average molar mass
- 226.34 g/mol
- Monoisotopic mass
- 226.12521776
Names & identifiers
- Preferred name
- 4-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine
- IUPAC
- 4-(2,2-dimethylthian-4-yl)-1H-pyrazole-3,5-diamine
Names & synonyms
BRN 5531908115596-50-44-(Tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-1H-pyrazole-3,5-diamine1H-Pyrazole-3,5-diamine, 4-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-Oprea1_077101DTXSID409217654-(2,2-Dimethylthian-4-yl)-5-imino-2,5-dihydro-1H-pyrazol-3-amine
Database identifiers
- CAS
115596-50-4- PubChem CID
- 3087686
- DTXSID
DTXSID40921765
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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