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

2-(azepan-2-yl)-1-(thiophen-2-yl)ethan-1-ol

CAS No.:
1375951-60-2
Catalog Number:
AG019YKA
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
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Product Description
Catalog Number:
AG019YKA
Chemical Name:
2-(azepan-2-yl)-1-(thiophen-2-yl)ethan-1-ol
CAS Number:
1375951-60-2
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
MDL Number:
MFCD22196433
IUPAC Name:
2-(azepan-2-yl)-1-thiophen-2-ylethanol
InChI:
InChI=1S/C12H19NOS/c14-11(12-6-4-8-15-12)9-10-5-2-1-3-7-13-10/h4,6,8,10-11,13-14H,1-3,5,7,9H2
InChI Key:
QWXLNLHPFKERAM-UHFFFAOYSA-N
SMILES:
OC(c1cccs1)CC1CCCCCN1
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.119g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.35g/mol
Monoisotopic Mass:
225.119g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties