N-Succinimidyl-S-acetylthioacetate - CAS 76931-93-6
Catalog:
BB035755
Product Name:
N-Succinimidyl-S-acetylthioacetate
CAS:
76931-93-6
Synonyms:
SATA; 2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
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BB035755
1 g
$299
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BB035755
5 g
$699
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IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate
Description: A thiolating reagent for primary amines.
Molecular Weight: 231.23
Molecular Formula: C8H9NO5S
Canonical SMILES: CC(=O)SCC(=O)ON1C(=O)CCC1=O
InChI: InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3
InChI Key: FLCQLSRLQIPNLM-UHFFFAOYSA-N
Boiling Point: 337.3±44.0 °C at 760 mmHg
Melting Point: 84-89 °C
Purity: 95%
Density: 1.5±0.1 g/cm3
Solubility: Acetonitrile : 50 mg/mL, DMF : soluble
Appearance: White to Yellow Solid
MDL: MFCD00036891
LogP: -0.18880
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
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Complexity: 311
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 231.02014356
Formal Charge: 0
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 231.02014356
Rotatable Bond Count: 5
Topological Polar Surface Area: 106 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -0.3
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