4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate (CAS 94344-71-5) — formula C18H21N3O8S, molecular weight 439.4; category organic chemicals.
| CAS Number | 94344-71-5 |
|---|---|
| Molecular Formula | C18H21N3O8S |
| Molecular Weight | 439.4 |
| LogP | -2.5 |
| Category | Organic Chemicals |
4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate is a carbon-based organic compound with CAS registry number 94344-71-5 and molecular formula C18H21N3O8S (molecular weight 439.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94344-71-5
Its molecular formula C18H21N3O8S comprises 18 C, 21 H, 3 N, 8 O, 1 S atoms.
Also known as: 4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate · 4-(2,3-双(双(羧甲基氨基))丙基)苯基异硫氰酸酯
Category: organic chemicals
The CAS registry number of 4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate is 94344-71-5.
Molecular formula C18H21N3O8S, molecular weight 439.4.
It is also registered under: 4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate, 4-(2,3-双(双(羧甲基氨基))丙基)苯基异硫氰酸酯.
Category: Organic Chemicals.
Independent reference data for 4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate (CAS 94344-71-5), compiled from public chemistry databases.
| CAS 号 | 94344-71-5 |
|---|---|
| PubChem CID | 125135 |
| 分子式 | C18H21N3O8S |
| IUPAC 名称 | 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-(carboxymethyl)amino]acetic acid |
| Molecular Weight | 439.4 |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 14 |
| Exact Mass | 439.10493581 |
| Monoisotopic Mass | 439.10493581 |
| Topological Polar Surface Area | 200 |
| Heavy Atom Count | 30 |
94344-71-5; 4-(2,3-Bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate; Glycine, N,N'-(1-((4-isothiocyanatophenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)-, (S)-; RefChem:926394; N,N'-((1S)-1-((4-Isothiocyanatophenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)glycine); Bitc-edta; 2,2',2'',2'''-{[(2s)-3-(4-isothiocyanatophenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid; Benzylisothiocyanato-edta; SCHEMBL29402282; DTXSID90915634; 2,2',2'',2'''-{[3-(4-Isothiocyanatophenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid
4-(2,3-双(双(羧甲基氨基))丙基)苯基异硫氰酸酯 · CAS 94344-71-5 · C18H21N3O8S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.