2-(Benzylthio)-3-nitropyridine - CAS 69212-31-3
Catalog: |
BB033731 |
Product Name: |
2-(Benzylthio)-3-nitropyridine |
CAS: |
69212-31-3 |
Synonyms: |
2-benzylsulfanyl-3-nitropyridine |
IUPAC Name: | 2-benzylsulfanyl-3-nitropyridine |
Description: | 2-(Benzylthio)-3-nitropyridine (CAS# 69212-31-3 ) is a useful research chemical. |
Molecular Weight: | 246.29 |
Molecular Formula: | C12H10N2O2S |
Canonical SMILES: | C1=CC=C(C=C1)CSC2=C(C=CC=N2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H10N2O2S/c15-14(16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2 |
InChI Key: | CRGAGHBQCBIQPJ-UHFFFAOYSA-N |
Boiling Point: | 394.6 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD00209547 |
LogP: | 3.80530 |
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 |
CA-3073794-A1 | Fused [1,2,4]thiadiazine derivatives which act as kat inhibitors of the myst family | 20170831 |
WO-2019043139-A1 | FUSED [1,2,4] THIADIAZINE DERIVATIVES AS KAT INHIBITORS OF THE MYST FAMILY | 20170831 |
EP-3676266-A1 | Fused [1,2,4]thiadiazine derivatives which act as kat inhibitors of the myst family | 20170831 |
JP-2020531593-A | Condensation [1,2,4] thiadiazine derivatives that act as KAT inhibitors of the MYST family | 20170831 |
EP-2970239-A1 | Pyridinyl and pyrimidinyl sulfonamide derivatives as chemokine receptor modulators | 20130312 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.04629874 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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