2-Mercaptopyridine-3-carbonitrile - CAS 52505-45-0
Catalog: |
BB027852 |
Product Name: |
2-Mercaptopyridine-3-carbonitrile |
CAS: |
52505-45-0 |
Synonyms: |
2-sulfanylidene-1H-pyridine-3-carbonitrile |
IUPAC Name: | 2-sulfanylidene-1H-pyridine-3-carbonitrile |
Description: | 2-Mercaptopyridine-3-carbonitrile (CAS# 52505-45-0) is a useful research chemical compound. |
Molecular Weight: | 136.17 |
Molecular Formula: | C6H4N2S |
Canonical SMILES: | C1=CNC(=S)C(=C1)C#N |
InChI: | InChI=1S/C6H4N2S/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9) |
InChI Key: | VKEKYGNDJZUZTL-UHFFFAOYSA-N |
Boiling Point: | 229.6 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD07343855 |
LogP: | 1.24198 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021095032-A1 | Glucose uptake inhibitors and uses thereof | 20191113 |
WO-2019174279-A1 | 1,2-benzisoselenazol-3(2h)-one and 1,2-benzisothiazol-3(2h)-one derivatives as beta-lactam antibiotic adjuvants | 20180313 |
WO-2019152679-A1 | Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
AU-2019215050-A1 | Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
CN-111699248-A | Biocatalysts and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.00951931 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.00951931 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyridines
Customers Also Viewed
-
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
-
[2973-17-3]
N-Allylmaleimide
-
[133407-82-6]
MG-132
-
[5518-18-3]
N-[2-(hexadecanoylamino)ethyl]hexadecanamide
INDUSTRY LEADERS TRUST OUR PRODUCTS