4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylpropyl)-6-nitro-, 2-sulfide
Basic information
- CAS
130365-36-5- Standard SMILES
CCC(C)NP1(=S)OCc2cc([N+](=O)[O-])ccc2O1- InChIKey
QJBGTKGOASBMCL-UHFFFAOYSA-N- Molecular formula
- C11H15N2O4PS
- Average molar mass
- 302.29 g/mol
- Monoisotopic mass
- 302.04901514
Names & identifiers
- Preferred name
- 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylpropyl)-6-nitro-, 2-sulfide
- IUPAC
- N-butan-2-yl-6-nitro-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
- English name
- N-(1-Methylpropyl)-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide
- Molecular formula
- C11H15N2O4PS
- Molecular weight
- 302.29
Names & synonyms
N-(1-Methylpropyl)-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide130365-36-54H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylpropyl)-6-nitro-, 2-sulfideRefChem:296975DTXSID409266992-[(Butan-2-yl)amino]-6-nitro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione
Database identifiers
- CAS
130365-36-5- PubChem CID
- 3076152
- DTXSID
DTXSID40926699
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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