4-(Benzylamino)tetrahydrothiopyran - CAS 887978-08-7
Catalog: |
BB039236 |
Product Name: |
4-(Benzylamino)tetrahydrothiopyran |
CAS: |
887978-08-7 |
Synonyms: |
N-(phenylmethyl)-4-thianamine; N-benzylthian-4-amine |
IUPAC Name: | N-benzylthian-4-amine |
Description: | 4-(Benzylamino)tetrahydrothiopyran (CAS# 887978-08-7 ) is a useful research chemical. |
Molecular Weight: | 207.34 |
Molecular Formula: | C12H17NS |
Canonical SMILES: | C1CSCCC1NCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H17NS/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-5,12-13H,6-10H2 |
InChI Key: | PMISIKTYDCYWDS-UHFFFAOYSA-N |
LogP: | 3.06270 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.10817072 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.10817072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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