Name: Name:APS-5
Brand: Angene
SKU: AG00ARUP
Rating: 90 (10 reviews)

APS-5

CAS No.:

193884-53-6

Catalog Number:

AG00ARUP

Molecular Formula:

C21H17ClNNa2O4PS

Molecular Weight:

491.8353

Catalog Number:

AG00ARUP

Chemical Name:

APS-5

CAS Number:

193884-53-6

Molecular Formula:

C21H17ClNNa2O4PS

Molecular Weight:

491.8353

MDL Number:

MFCD29035194

IUPAC Name:

disodium;[(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate

InChI:

InChI=1S/C21H17ClNO4PS.2Na/c1-23-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)23)21(27-28(24,25)26)29-15-12-10-14(22)11-13-15;;/h2-13H,1H3,(H2,24,25,26);;/q;2*+1/p-2

InChI Key:

NDPRDNBCONYNMF-UHFFFAOYSA-L

SMILES:

Clc1ccc(cc1)SC(C1c2ccccc2N(c2c1cccc2)C)OP(=O)([O-])[O-].[Na+].[Na+]

Complexity:

626

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

488.994g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

489.817g/mol

Monoisotopic Mass:

488.994g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: