Methyl 1,2,3-Benzothiadiazole-5-carboxylate - CAS 23616-15-1
Catalog: |
BB018116 |
Product Name: |
Methyl 1,2,3-Benzothiadiazole-5-carboxylate |
CAS: |
23616-15-1 |
Synonyms: |
1,2,3-benzothiadiazole-5-carboxylic acid methyl ester; methyl 1,2,3-benzothiadiazole-5-carboxylate |
IUPAC Name: | methyl 1,2,3-benzothiadiazole-5-carboxylate |
Description: | Methyl 1,2,3-Benzothiadiazole-5-carboxylate (CAS# 23616-15-1) is a useful research chemical. |
Molecular Weight: | 194.21 |
Molecular Formula: | C8H6N2O2S |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)SN=N2 |
InChI: | InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-7-6(4-5)9-10-13-7/h2-4H,1H3 |
InChI Key: | JCRFJMHWEAYQAA-UHFFFAOYSA-N |
Boiling Point: | 304.4 °C at 760 mmHg |
Density: | 1.413 g/cm3 |
Appearance: | Light red solid |
LogP: | 1.47790 |
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-2983201-A1 | Inhibitors of human immunodeficiency virus replication | 20150423 |
JP-2018513183-A | Inhibitor of human immunodeficiency virus replication | 20150423 |
KR-20180005195-A | Inhibitors of human immunodeficiency virus replication | 20150423 |
TW-201702215-A | Inhibitor of human immunodeficiency virus replication | 20150423 |
US-2018072997-A1 | Inhibitors of human immunodeficiency virus replication | 20150423 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.01499861 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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