Home Other Building Blocks 2-(azepan-2-yl)-1-(thiophen-2-yl)ethan-1-one hydrochloride

2-(azepan-2-yl)-1-(thiophen-2-yl)ethan-1-one hydrochloride

CAS No.:
1384428-79-8
Catalog Number:
AG019YGD
Molecular Formula:
C12H18ClNOS
Molecular Weight:
259.7954
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019YGD
Chemical Name:
2-(azepan-2-yl)-1-(thiophen-2-yl)ethan-1-one hydrochloride
CAS Number:
1384428-79-8
Molecular Formula:
C12H18ClNOS
Molecular Weight:
259.7954
MDL Number:
MFCD22196400
IUPAC Name:
2-(azepan-2-yl)-1-thiophen-2-ylethanone;hydrochloride
InChI:
InChI=1S/C12H17NOS.ClH/c14-11(12-6-4-8-15-12)9-10-5-2-1-3-7-13-10;/h4,6,8,10,13H,1-3,5,7,9H2;1H
InChI Key:
VLBDSFLOXNHQMG-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)CC1CCCCCN1.Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.792g/mol
Monoisotopic Mass:
259.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties