Name: Name:6-bromo-1H,3H,4H,4aH,5H,9bH-thiopyrano[4,3-b]indole, Mixture of diastereomers
Brand: Angene
SKU: AG01BTZB
Rating: 90 (10 reviews)

6-bromo-1H,3H,4H,4aH,5H,9bH-thiopyrano[4,3-b]indole, Mixture of diastereomers

CAS No.:

1780496-84-5

Catalog Number:

AG01BTZB

Molecular Formula:

C11H12BrNS

Molecular Weight:

270.1887

Catalog Number:

AG01BTZB

Chemical Name:

6-bromo-1H,3H,4H,4aH,5H,9bH-thiopyrano[4,3-b]indole, Mixture of diastereomers

CAS Number:

1780496-84-5

Molecular Formula:

C11H12BrNS

Molecular Weight:

270.1887

MDL Number:

MFCD28537764

IUPAC Name:

6-bromo-1,3,4,4a,5,9b-hexahydrothiopyrano[4,3-b]indole

InChI:

InChI=1S/C11H12BrNS/c12-9-3-1-2-7-8-6-14-5-4-10(8)13-11(7)9/h1-3,8,10,13H,4-6H2

InChI Key:

MYPABAUNRJCBKV-UHFFFAOYSA-N

SMILES:

Brc1cccc2c1NC1C2CSCC1

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.188g/mol

Monoisotopic Mass:

268.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3