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Home Aminos 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-

9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-

CAS No.:
16140-27-5
Catalog Number:
AG001SFY
Molecular Formula:
C21H24N2O2S
Molecular Weight:
368.4925
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Product Description
Catalog Number:
AG001SFY
Chemical Name:
9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-
CAS Number:
16140-27-5
Molecular Formula:
C21H24N2O2S
Molecular Weight:
368.4925
MDL Number:
MFCD01679807
IUPAC Name:
4-(hydroxymethyl)-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one
InChI:
InChI=1S/C21H24N2O2S/c24-14-15-8-9-17(22-10-13-23-11-4-1-5-12-23)19-20(25)16-6-2-3-7-18(16)26-21(15)19/h2-3,6-9,22,24H,1,4-5,10-14H2
InChI Key:
WKUYEBVLTZDQDV-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1sc1ccccc1c2=O)NCCN1CCCCC1
UNII:
ZOE3WN5620
NSC Number:
166366
Properties
Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.156g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
368.495g/mol
Monoisotopic Mass:
368.156g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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
Properties