Home Other Building Blocks 3-(ethylsulfanyl)azepane

3-(ethylsulfanyl)azepane

CAS No.:
1311316-56-9
Catalog Number:
AG01AHBK
Molecular Formula:
C8H17NS
Molecular Weight:
159.2923
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Product Description
Catalog Number:
AG01AHBK
Chemical Name:
3-(ethylsulfanyl)azepane
CAS Number:
1311316-56-9
Molecular Formula:
C8H17NS
Molecular Weight:
159.2923
MDL Number:
MFCD18785460
IUPAC Name:
3-ethylsulfanylazepane
InChI:
InChI=1S/C8H17NS/c1-2-10-8-5-3-4-6-9-7-8/h8-9H,2-7H2,1H3
InChI Key:
RJVUDYKKQNLPNU-UHFFFAOYSA-N
SMILES:
CCSC1CCCCNC1
Properties
Complexity:
85.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.108g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.291g/mol
Monoisotopic Mass:
159.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties