Home Other Building Blocks 2-[2-(thiophen-2-yl)ethenyl]azepane

2-[2-(thiophen-2-yl)ethenyl]azepane

CAS No.:
1461726-86-2
Catalog Number:
AG01A6B4
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
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Product Description
Catalog Number:
AG01A6B4
Chemical Name:
2-[2-(thiophen-2-yl)ethenyl]azepane
CAS Number:
1461726-86-2
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
MDL Number:
MFCD25371774
IUPAC Name:
2-(2-thiophen-2-ylethenyl)azepane
InChI:
InChI=1S/C12H17NS/c1-2-5-11(13-9-3-1)7-8-12-6-4-10-14-12/h4,6-8,10-11,13H,1-3,5,9H2
InChI Key:
XTLXNAKRNJSIHK-UHFFFAOYSA-N
SMILES:
C1CCNC(CC1)C=Cc1cccs1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.9  
Properties