N,N'-Diethylene-N''-(5-methyl-1,3,4-thiadiazol-2-yl)phosphoramide
Basic information
- CAS
2886-83-1- Standard SMILES
Cc1nnc(NP(=O)(N2CC2)N2CC2)s1- InChIKey
FOPDEPLKWLOITF-UHFFFAOYSA-N- Molecular formula
- C7H12N5OPS
- Average molar mass
- 245.24 g/mol
- Monoisotopic mass
- 245.05001819
Overview
structure
Names & identifiers
- Preferred name
- N,N'-Diethylene-N''-(5-methyl-1,3,4-thiadiazol-2-yl)phosphoramide
- IUPAC
- N-[bis(aziridin-1-yl)phosphoryl]-5-methyl-1,3,4-thiadiazol-2-amine
Names & synonyms
2886-83-1N,N'-Diethylene-N''-(5-methyl-1,3,4-thiadiazol-2-yl)phosphoramideP,P-Bis(1-aziridinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)phosphinic amideRefChem:160999HE4ZFR5PVTS-261N-[bis(aziridin-1-yl)phosphoryl]-5-methyl-1,3,4-thiadiazol-2-amineNSC 528988UNII-HE4ZFR5PVTS 261NSC-528988PHOSPHINIC AMIDE, P,P-BIS(1-AZIRIDINYL)-N-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-
Database identifiers
- CAS
2886-83-1- PubChem CID
- 101495
- UNII
- HE4ZFR5PVT
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
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Related reactions
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Compound notes
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