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Home Other Building Blocks 3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate

3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate

CAS No.:
7081-40-5
Catalog Number:
AG00FGKR
Molecular Formula:
C20H26ClNOS
Molecular Weight:
363.9445
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$94
- +
250mg
97%
In Stock USA
United States
$113
- +
1g
97%
In Stock USA
United States
$375
- +
5g
97%
In Stock USA
United States
$1200
- +
10g
97%
In Stock USA
United States
$2000
- +
Product Description
Catalog Number:
AG00FGKR
Chemical Name:
3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate
CAS Number:
7081-40-5
Molecular Formula:
C20H26ClNOS
Molecular Weight:
363.9445
MDL Number:
MFCD00941488
IUPAC Name:
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride
InChI:
InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2
InChI Key:
RAOHHYUBMJLHNC-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2.O.Cl
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.142g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
363.944g/mol
Monoisotopic Mass:
363.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
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