Sulforhodamine B, acid form

• CAS: 2609-88-3
• Catalog Number: ACM2609883
• Category: Rhodamine Fluorophores
• Molecular Weight: 558.7g/mol
• Molecular Formula: C27H30N2O7S2
• IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate
• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]
• InChI: InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)
• InChI Key: IOOMXAQUNPWDLL-UHFFFAOYSA-N
• Complexity: 1170
• Covalently-Bonded Unit Count: 1
• EC Number: 222-529-8;220-025-2
• Exact Mass: 558.149444g/mol
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 1
• Heavy Atom Count: 38
• Monoisotopic Mass: 558.149444g/mol
• Rotatable Bond Count: 7
• XLogP3: 2.2

Custom Q&A

What is the molecular formula of Sulforhodamine B?

The molecular formula of Sulforhodamine B is C27H30N2O7S2.

What is the molecular weight of Sulforhodamine B?

The molecular weight of Sulforhodamine B is 558.7 g/mol.

What is the IUPAC name of Sulforhodamine B?

The IUPAC name of Sulforhodamine B is 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate.

What is the InChI of Sulforhodamine B?

The InChI of Sulforhodamine B is InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35).

What is the InChIKey of Sulforhodamine B?

The InChIKey of Sulforhodamine B is IOOMXAQUNPWDLL-UHFFFAOYSA-N.

What is the canonical SMILES of Sulforhodamine B?

The canonical SMILES of Sulforhodamine B is CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-].

What is the CAS number of Sulforhodamine B?

The CAS number of Sulforhodamine B is 2609-88-3.

What is the EC number of Sulforhodamine B?

The EC number of Sulforhodamine B is 220-025-2.

What is the topological polar surface area of Sulforhodamine B?

The topological polar surface area of Sulforhodamine B is 144Ų.