Home Other Building Blocks 7-(phenylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

7-(phenylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine

CAS No.:
1019584-14-5
Catalog Number:
AG01A96Z
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
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Product Description
Catalog Number:
AG01A96Z
Chemical Name:
7-(phenylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CAS Number:
1019584-14-5
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
MDL Number:
MFCD11135869
IUPAC Name:
6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine
InChI:
InChI=1S/C14H13NO2S/c15-11-8-12-13(17-7-6-16-12)9-14(11)18-10-4-2-1-3-5-10/h1-5,8-9H,6-7,15H2
InChI Key:
OXUHLCGCWHQHQW-UHFFFAOYSA-N
SMILES:
Nc1cc2OCCOc2cc1Sc1ccccc1
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties