Home Other Building Blocks 4-(thiomorpholin-4-ylmethyl)benzoic acid hydrochloride

4-(thiomorpholin-4-ylmethyl)benzoic acid hydrochloride

CAS No.:
1240527-28-9
Catalog Number:
AG01A8VH
Molecular Formula:
C12H16ClNO2S
Molecular Weight:
273.7789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A8VH
Chemical Name:
4-(thiomorpholin-4-ylmethyl)benzoic acid hydrochloride
CAS Number:
1240527-28-9
Molecular Formula:
C12H16ClNO2S
Molecular Weight:
273.7789
MDL Number:
MFCD16547568
IUPAC Name:
4-(thiomorpholin-4-ylmethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2S.ClH/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13;/h1-4H,5-9H2,(H,14,15);1H
InChI Key:
HIOVCLSMVPAOMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1CCSCC1.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.775g/mol
Monoisotopic Mass:
273.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties