Methiotepa
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Basic information
- CAS
20662-50-4- Standard SMILES
CC1CN1P(=S)(N1CC1C)N1CC1C- InChIKey
MLFGIRNMAOXTHS-UHFFFAOYSA-N- Molecular formula
- C9H18N3PS
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.09590576
Names & identifiers
- Preferred name
- Methiotepa
- IUPAC
- tris(2-methylaziridin-1-yl)-sulfanylidene-λ5-phosphane
- English name
- 1,1',1''-phosphorothioyltris(2-methylaziridine)
- Molecular formula
- C9H18N3PS
- Molecular weight
- 231.3
Names & synonyms
Methiotepa76-96-0MetapsideTris(2-methyl-1-aziridinyl)phosphine sulfideENT 161ANJU3R7RRRAUNII-NJU3R7RRRAENT 50782EINECS 200-995-3NSC 54055NSC-54055NSC-56843
Show more names
NSC 568431,1',1''-phosphorothioyltris(2-methylaziridine)tris(2-methylethylenimin-1-yl)-thioxo-phosphoranePhosphine sulfide, tris(2-methyl-1-aziridinyl)- (8CI)Aziridine, 1,1',1''-phosphinothioylidynetris[2-methyl-
Phosphine sulfide, tris(2-methyl-1-aziridinyl)-Aziridine, 1,1',1''-phosphinothioylidynetris(2-methyl-AI3-50004ENT-161AENT-50782RefChem:157018Phosphine sulfide, tris(2-methyl-1-aziridinyl)-(8CI)Aziridine, 1,1',1''-phosphinothioylidynetris(2-methyl-(9CI)
Database identifiers
- CAS
20662-50-4、22633-95-0、76-96-0- PubChem CID
- 66161
- DTXSID
DTXSID70942862- UNII
- NJU3R7RRRA
- EC Number
- 200-995-3
- Nikkaji
- J4.189K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 294.4 · 294.4±23.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 3.8 · 3.80±0.40(Predicted)
- FDA UNII
- 3 R7RRRA · NJU3R7RRRA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
UsesMethiotepa is a trifunctional aziridine chemosterilant.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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