3-(ethylsulfanyl)azepane - CAS 1311316-56-9
Catalog: |
BB065791 |
Product Name: |
3-(ethylsulfanyl)azepane |
CAS: |
1311316-56-9 |
Synonyms: |
3-(ethylsulfanyl)azepane; 3-ethylsulfanylazepane |
IUPAC Name: | 3-ethylsulfanylazepane |
Description: | 3-(ethylsulfanyl)azepane (cas# 1311316-56-9) is a useful research chemical. |
Molecular Weight: | 159.29 |
Molecular Formula: | C8H17NS |
Canonical SMILES: | CCSC1CCCCNC1 |
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 |
Complexity: | 85.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.10817072 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.10817072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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