Home Other Building Blocks 3-(methylsulfanyl)azepane

3-(methylsulfanyl)azepane

CAS No.:
1423031-54-2
Catalog Number:
AG01A1G2
Molecular Formula:
C7H15NS
Molecular Weight:
145.2657
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Product Description
Catalog Number:
AG01A1G2
Chemical Name:
3-(methylsulfanyl)azepane
CAS Number:
1423031-54-2
Molecular Formula:
C7H15NS
Molecular Weight:
145.2657
MDL Number:
MFCD22421826
IUPAC Name:
3-methylsulfanylazepane
InChI:
InChI=1S/C7H15NS/c1-9-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3
InChI Key:
PIXHJJIKSFFOEF-UHFFFAOYSA-N
SMILES:
CSC1CCCCNC1
Properties
Complexity:
75.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.093g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.264g/mol
Monoisotopic Mass:
145.093g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties