(Methylthio)acetic acid - CAS 2444-37-3
Catalog: |
BB018486 |
Product Name: |
(Methylthio)acetic acid |
CAS: |
2444-37-3 |
Synonyms: |
2-methylsulfanylacetic acid |
IUPAC Name: | 2-methylsulfanylacetic acid |
Description: | (Methylthio)acetic acid (CAS# 2444-37-3) is a useful research chemical. |
Molecular Weight: | 106.14 |
Molecular Formula: | C3H6O2S |
Canonical SMILES: | CSCC(=O)O |
InChI: | InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5) |
InChI Key: | HGTBAIVLETUVCG-UHFFFAOYSA-N |
Boiling Point: | 130 °C (27 torr) |
Density: | 1.219 g/cm3 |
Appearance: | Yellowish liquid or low mp solid |
MDL: | MFCD00075444 |
LogP: | 0.43400 |
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 |
Publication Number | Title | Priority Date |
JP-2021152037-A | Heterocyclic amide compound | 20210611 |
JP-2020164533-A | Heterocyclic amide compound | 20200529 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2021113419-A1 | Compositions having pesticidal utility and processes related thereto | 20191206 |
US-2021188844-A1 | Fused pyrimidine pyridinone compounds as jak inhibitors | 20191126 |
PMID | Publication Date | Title | Journal |
22857859 | 20120801 | Three cytotoxic drugs combined with pelvic radiation and as maintenance chemotherapy for patients with squamous cell carcinoma of the anus (SCCA): long-term follow-up of a phase II pilot study using 5-fluorouracil, mitomycin C and cisplatin | Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology |
21094391 | 20101217 | Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry | Analytica chimica acta |
18473729 | 20080501 | Therapeutic exploitation of tumor cell defects in homologous recombination | Anti-cancer agents in medicinal chemistry |
18505075 | 20080301 | Radiotherapy and chemotherapy in the conservative treatment of anal canal carcinoma | Anticancer research |
16730655 | 20060714 | Characterization of four RecQ homologues from rice (Oryza sativa L. cv. Nipponbare) | Biochemical and biophysical research communications |
Complexity: | 52.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.00885060 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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