Basic information
- CAS
1950-08-9- Standard SMILES
S=P(N1CC1)(N1CC1)N1CCN(P(=S)(N2CC2)N2CC2)CC1- InChIKey
QLCWKDAVQRSLQM-UHFFFAOYSA-N- Molecular formula
- C12H24N6P2S2
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.09791113
Overview
structure
Names & identifiers
- Preferred name
- Thiodipin
- IUPAC
- bis(aziridin-1-yl)-[4-[bis(aziridin-1-yl)phosphinothioyl]piperazin-1-yl]-sulfanylidene-λ5-phosphane
- English name
- thiodipin
- Molecular formula
- C12H24N6P2S2
- Molecular weight
- 378.44
Names & synonyms
Thiodipin1950-08-96TF8Z8Y8ZYNSC-5145401,4-Bis(bis(1-aziridinyl)phosphinothioyl)piperazinePiperazine, 1,4-bis(bis(1-aziridinyl)phosphinothioyl)-DTXSID101731531,4-bis(bis-(1-aziridinyl)thiophosphinyl)piperazineRefChem:189517DTXCID3095644bis(aziridin-1-yl)-[4-[bis(aziridin-1-yl)phosphinothioyl]piperazin-1-yl]-sulfanylidene-lambda5-phosphaneThiodipine
Show more names
1,4-bis[bis(1-aziridinyl)phosphorothioyl]piperazinePiperazine, 1,4-bis[bis(1-aziridinyl)phosphinothioyl]-
NSC 514540BRN 0629376UNII-6TF8Z8Y8ZYCHEMBL454641Phosphine sulfide, 1,4-piperazinediylbis(bis(1-aziridinyl)-NSC514540AKOS0159956261,4-bis[bis(aziridin-1-yl)phosphorothioyl]piperazine
Database identifiers
- CAS
1950-08-9- PubChem CID
- 101413
- DTXSID
DTXSID10173153- ChEMBL
CHEMBL454641- UNII
- 6TF8Z8Y8ZY
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 493.4 · 493.4±55.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.70(Predicted)
- FDA UNII
- 6 TF8Z8Y8ZY · 6TF8Z8Y8ZY
Chemistry & industry
Suppliers1 total
ARONIS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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