Name: Name:1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]- (9CI)
Brand: Angene
SKU: AG002LPG
Rating: 90 (10 reviews)

1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]- (9CI)

CAS No.:

229621-21-0

Catalog Number:

AG002LPG

Molecular Formula:

C12H22NO5S4

Molecular Weight:

388.5668

Catalog Number:

AG002LPG

Chemical Name:

1H-Pyrrol-1-yloxy, 2,5-dihydro-2,2,5,5-tetramethyl-3,4-bis[[(methylsulfonyl)thio]methyl]- (9CI)

CAS Number:

229621-21-0

Molecular Formula:

C12H22NO5S4

Molecular Weight:

388.5668

MDL Number:

MFCD09840068

IUPAC Name:

1-hydroxy-2,2,5,5-tetramethyl-3,4-bis(methylsulfonylsulfanylmethyl)pyrrole

InChI:

InChI=1S/C12H23NO5S4/c1-11(2)9(7-19-21(5,15)16)10(8-20-22(6,17)18)12(3,4)13(11)14/h14H,7-8H2,1-6H3

InChI Key:

IPKHEJLDAPALOH-UHFFFAOYSA-N

SMILES:

[O]N1C(C)(C)C(=C(C1(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C

Complexity:

607

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.558g/mol

Monoisotopic Mass:

389.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

159A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5