Home Carbonyls 1-(thiophene-3-carbonyl)-1,4-diazepane

1-(thiophene-3-carbonyl)-1,4-diazepane

CAS No.:
926247-21-4
Catalog Number:
AG019W8Y
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
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Product Description
Catalog Number:
AG019W8Y
Chemical Name:
1-(thiophene-3-carbonyl)-1,4-diazepane
CAS Number:
926247-21-4
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD09050575
IUPAC Name:
1,4-diazepan-1-yl(thiophen-3-yl)methanone
InChI:
InChI=1S/C10H14N2OS/c13-10(9-2-7-14-8-9)12-5-1-3-11-4-6-12/h2,7-8,11H,1,3-6H2
InChI Key:
BGMZMGXAACFFEH-UHFFFAOYSA-N
SMILES:
O=C(c1ccsc1)N1CCNCCC1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties