Name: Name:4-(2-phenyl-5,6-dihydro-1,4-oxathiin-3-yl)-N,N-ditetradecylaniline
Brand: Angene
SKU: AG01DH6E
Rating: 90 (10 reviews)

4-(2-phenyl-5,6-dihydro-1,4-oxathiin-3-yl)-N,N-ditetradecylaniline

CAS No.:

192937-52-3

Catalog Number:

AG01DH6E

Molecular Formula:

C44H71NOS

Molecular Weight:

662.1056

Catalog Number:

AG01DH6E

Chemical Name:

4-(2-phenyl-5,6-dihydro-1,4-oxathiin-3-yl)-N,N-ditetradecylaniline

CAS Number:

192937-52-3

Molecular Formula:

C44H71NOS

Molecular Weight:

662.1056

MDL Number:

MFCD31652471

IUPAC Name:

4-(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)-N,N-di(tetradecyl)aniline

InChI:

InChI=1S/C44H71NOS/c1-3-5-7-9-11-13-15-17-19-21-23-28-36-45(37-29-24-22-20-18-16-14-12-10-8-6-4-2)42-34-32-41(33-35-42)44-43(46-38-39-47-44)40-30-26-25-27-31-40/h25-27,30-35H,3-24,28-29,36-39H2,1-2H3

InChI Key:

QCYPTOQJMGZHIO-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCN(c1ccc(cc1)C1=C(OCCS1)c1ccccc1)CCCCCCCCCCCCCC

Complexity:

709

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

661.526g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

662.118g/mol

Monoisotopic Mass:

661.526g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

17.5