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1042786-65-1,MFCD11172340
Catalog No.:AA01A7X2
1042786-65-1 | 4-[2-(thiomorpholin-4-yl)ethyl]aniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$469.00   $328.00
- +
500mg
95.0%
3 weeks  
$855.00   $598.00
- +
1g
95.0%
3 weeks  
$1,143.00   $800.00
- +
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Technical Information
Catalog Number:
AA01A7X2
Chemical Name:
4-[2-(thiomorpholin-4-yl)ethyl]aniline
CAS Number:
1042786-65-1
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
MDL Number:
MFCD11172340
IUPAC Name:
4-(2-thiomorpholin-4-ylethyl)aniline
InChI:
InChI=1S/C12H18N2S/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10,13H2
InChI Key:
QLEWSVVVLAMGRE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CCN1CCSCC1
Properties
Computed Properties
 
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.119g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.35g/mol
Monoisotopic Mass:
222.119g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
4-[2-(thiomorpholin-4-yl)ethyl]aniline 
1042786-65-1 
AC1Q51ZY 
CTK7D7408 
ZINC20257439 
AKOS009211342 
NE19069 
EN300-60298 
Literature
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