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57476-29-6 | isotiod
CAS No: 57476-29-6 Catalog No: AG00EZEG MDL No:
Product Description
Catalog Number:
AG00EZEG
Chemical Name:
isotiod
CAS Number:
57476-29-6
IUPAC Name:
4-[1-hydroxy-2-(3-phenylsulfanylpropylamino)propyl]phenol
InChI:
InChI=1S/C18H23NO2S/c1-14(18(21)15-8-10-16(20)11-9-15)19-12-5-13-22-17-6-3-2-4-7-17/h2-4,6-11,14,18-21H,5,12-13H2,1H3
InChI Key:
KNPDZXNZIJNVNH-UHFFFAOYSA-N
NSC Number:
288403
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.145g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.447g/mol
Monoisotopic Mass:
317.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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