Dids

• CAS: 67483-13-0
• Catalog Number: ACM67483130
• Category: Other Products
• Molecular Weight: 498.5g/mol
• Molecular Formula: C16H8N2Na2O6S4
• Synonyms: 4,4-DIISOTHIOCYANATO-2,2-STILBENEDISULFONIC ACID DISODIUM SALT;4,4-DIISOTHIOCYANATO-2,2-STILBENZENEDISULFONIC ACID DISODIUM SALT;4,4-DIISOTHIOCYANATO-STILBENE-2,2-DISULFONIC ACID DISODIUM SALT;4,4-DIISOTHIOCYANO-2,2-STILBENEDISULFONIC ACID, DISODIUM SALT;4,4-DIISOTHIOCYANOSTILBENE-2,2-DISULFONIC ACID, 2NA;4,4-DIISOTHIOCYANOSTILBENE-2,2-DISULFONIC ACID DISODIUM SALT;DIDS;DIDS DISODIUM SALT
• IUPAC Name: disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
• Canonical SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H10N2O6S4.2Na/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b2-1+
• InChI Key: GEPAYBXVXXBSKP-SEPHDYHBSA-L
• Melting Point: >300°C
• Appearance: powder
• Complexity: 792
• Covalently-Bonded Unit Count: 3
• Exact Mass: 497.906059g/mol
• Formal Charge: 0
• Hazard Statements: Xn
• H-Bond Acceptor: 10
• H-Bond Donor: 0
• Heavy Atom Count: 30
• Monoisotopic Mass: 497.906059g/mol
• Rotatable Bond Count: 4
• Safety Description: 22-26
• Supplemental Hazard Statements: H315-H319
• Symbol: GHS07
• UNII: 1VFRQ7416A

Custom Q&A

What is the PubChem CID of the compound?

PubChem CID: 5281951

What is the molecular formula of the compound?

Molecular Formula: C16H10N2O6S4

When was the compound created and last modified in PubChem?

Created: 2005-03-26
Modified: 2023-12-30

What is the chemical description of the compound?

The compound is described as an arenesulfonic acid.

What is the IUPAC name of the compound?

IUPAC Name: 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid

What is the InChIKey of the compound?

InChIKey: YSCNMFDFYJUPEF-OWOJBTEDSA-N

What is the CAS number of the compound?

CAS Number: 53005-05-3

What is the molecular weight of the compound?

Molecular Weight: 454.5 g/mol

How many hydrogen bond donor counts does the compound have?

Hydrogen Bond Donor Count: 2

What is the XLogP3-AA value of the compound?

XLogP3-AA: 4.5