Basic information
- CAS
1533853-56-3- Standard SMILES
CC1(Nc2cc(NN)nc(C(C)(C)C)n2)CCS(=O)(=O)C1- InChIKey
GKSYCHZHVKAKLO-UHFFFAOYSA-N- Molecular formula
- C13H23N5O2S
- Average molar mass
- 313.42 g/mol
- Monoisotopic mass
- 313.15724617
Names & identifiers
- Preferred name
- 3-[(2-tert-Butyl-6-hydrazinylidene-3,6-dihydropyrimidin-4-yl)amino]-3-methyl-1lambda~6~-thiolane-1,1-dione
- IUPAC
- 2-tert-butyl-6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
Names & synonyms
DTXSID701114443AKOS0195340121533853-56-33-[(2-tert-Butyl-6-hydrazinylidene-3,6-dihydropyrimidin-4-yl)amino]-3-methyl-1lambda~6~-thiolane-1,1-dione4-Pyrimidinamine, 2-(1,1-dimethylethyl)-6-hydrazinyl-N-(tetrahydro-3-methyl-1,1-dioxido-3-thienyl)-
Database identifiers
- CAS
1533853-56-3- PubChem CID
- 80965134
- DTXSID
DTXSID701114443
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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