3-(Boc-amino)-3-(4-tetrahydrothiopyranyl)-1-propanol - CAS 898405-01-1
Catalog: |
BB039627 |
Product Name: |
3-(Boc-amino)-3-(4-tetrahydrothiopyranyl)-1-propanol |
CAS: |
898405-01-1 |
Synonyms: |
N-[3-hydroxy-1-(4-thianyl)propyl]carbamic acid tert-butyl ester; tert-butyl N-[3-hydroxy-1-(thian-4-yl)propyl]carbamate |
IUPAC Name: | tert-butyl N-[3-hydroxy-1-(thian-4-yl)propyl]carbamate |
Description: | 3-(Boc-amino)-3-(4-tetrahydrothiopyranyl)-1-propanol (CAS# 898405-01-1 ) is a useful research chemical. |
Molecular Weight: | 275.41 |
Molecular Formula: | C13H25NO3S |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCO)C1CCSCC1 |
InChI: | InChI=1S/C13H25NO3S/c1-13(2,3)17-12(16)14-11(4-7-15)10-5-8-18-9-6-10/h10-11,15H,4-9H2,1-3H3,(H,14,16) |
InChI Key: | ODPBISPJJZSYOY-UHFFFAOYSA-N |
LogP: | 2.60970 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.15551483 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.15551483 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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