2,3-Dioxo-5-indolinesulfonic acid

HCID 81749
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Basic information

CAS
7313-70-4
Standard SMILES
O=C1Nc2ccc(S(=O)(=O)O)cc2C1=O
InChIKey
UBHYCFBVIXOJJO-UHFFFAOYSA-N
Molecular formula
C8H5NO5S
Average molar mass
227.2 g/mol
Monoisotopic mass
226.98884326

Overview

reagent for modification of tryptophan residues in peptides & proteins

Names & identifiers

Preferred name
2,3-Dioxo-5-indolinesulfonic acid
IUPAC
2,3-dioxo-1H-indole-5-sulfonic acid
English name
2,3-dioxoindoline-5-sulphonic acid
Molecular formula
C8H5NO5S
Molecular weight
227.19

Names & synonyms

7313-70-42,3-Dioxo-5-indolinesulfonic acidDTXSID20223395RefChem:81881DTXCID20145886230-773-12,3-DIOXOINDOLINE-5-SULFONIC ACID2,3-dioxo-1H-indole-5-sulfonic acid2,3-Dioxoindoline-5-sulphonic acidIsatin-5-sulfonic acidNSC-63484NCIOpen2_002676
Show more names
5-SulfoisatinIsatin sulfonic acid
EINECS 230-773-11H-Indole-5-sulfonic acid, 2,3-dihydro-2,3-dioxo-5-isatinsulfonic acidNCY7M68CQ6CBDivE_0048142,3-Dihydro-2,3-dioxo-1H-indole-5-sulfonic acid2,3-dioxo-2,3-dihydro-1h-indole-5-sulfonic acidSCHEMBL458636

Database identifiers

CAS
7313-70-4
PubChem CID
81749
DTXSID
DTXSID20223395
ChEMBL
CHEMBL2228492
UNII
NCY7M68CQ6
EC Number
230-773-1
Nikkaji
J212.307J

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
143 ℃ · 143℃
Density
1.743 · 1.743
storage temp.
2 · 2-8°C
pka
-1.15 · -1.15±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers8 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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