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20180-18-1 | Aziridine, 1,1'-(phenylphosphinothioylidene)bis[2-methyl- (9CI)
CAS No: 20180-18-1 Catalog No: AG0027UE MDL No:
Product Description
Catalog Number:
AG0027UE
Chemical Name:
Aziridine, 1,1'-(phenylphosphinothioylidene)bis[2-methyl- (9CI)
CAS Number:
20180-18-1
Molecular Formula:
C12H17N2PS
Molecular Weight:
252.3155
IUPAC Name:
bis(2-methylaziridin-1-yl)-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C12H17N2PS/c1-10-8-13(10)15(16,14-9-11(14)2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChI Key:
XQDURKANNREFSK-UHFFFAOYSA-N
SMILES:
CC1CN1P(=S)(c1ccccc1)N1CC1C
NSC Number:
54058
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.316g/mol
Monoisotopic Mass:
252.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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