Name: Name:(1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YL)-PHENETHYL-AMINE
Brand: Angene
SKU: AG01E71H
Rating: 90 (10 reviews)

(1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YL)-PHENETHYL-AMINE

CAS No.:

453576-58-4

Catalog Number:

AG01E71H

Molecular Formula:

C12H17NO2S

Molecular Weight:

239.3339

Catalog Number:

AG01E71H

Chemical Name:

(1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YL)-PHENETHYL-AMINE

CAS Number:

453576-58-4

Molecular Formula:

C12H17NO2S

Molecular Weight:

239.3339

MDL Number:

MFCD02360494

IUPAC Name:

1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine

InChI:

InChI=1S/C12H17NO2S/c14-16(15)9-7-12(10-16)13-8-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

InChI Key:

GJFFBAFTFQNHEX-UHFFFAOYSA-N

SMILES:

O=S1(=O)CCC(C1)NCCc1ccccc1

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.333g/mol

Monoisotopic Mass:

239.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3