Home Other Building Blocks 3-(1-ethyl-1H-pyrazol-4-yl)thiomorpholine dihydrochloride

3-(1-ethyl-1H-pyrazol-4-yl)thiomorpholine dihydrochloride

CAS No.:
1798709-10-0
Catalog Number:
AG01BDR8
Molecular Formula:
C9H17Cl2N3S
Molecular Weight:
270.2224
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Product Description
Catalog Number:
AG01BDR8
Chemical Name:
3-(1-ethyl-1H-pyrazol-4-yl)thiomorpholine dihydrochloride
CAS Number:
1798709-10-0
Molecular Formula:
C9H17Cl2N3S
Molecular Weight:
270.2224
MDL Number:
MFCD28023790
IUPAC Name:
3-(1-ethylpyrazol-4-yl)thiomorpholine;dihydrochloride
InChI:
InChI=1S/C9H15N3S.2ClH/c1-2-12-6-8(5-11-12)9-7-13-4-3-10-9;;/h5-6,9-10H,2-4,7H2,1H3;2*1H
InChI Key:
KMVKWYSJQLAQAL-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)C1CSCCN1.Cl.Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
270.216g/mol
Monoisotopic Mass:
269.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties