1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole - CAS 73118-37-3
Catalog: |
BB034781 |
Product Name: |
1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole |
CAS: |
73118-37-3 |
Synonyms: |
3-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole |
IUPAC Name: | 3-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole |
Description: | 1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole (CAS# 73118-37-3 ) is a useful research chemical. |
Molecular Weight: | 380.46 |
Molecular Formula: | C17H24N4O4S |
Canonical SMILES: | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-])C(C)C |
InChI: | InChI=1S/C17H24N4O4S/c1-10(2)13-7-14(11(3)4)16(15(8-13)12(5)6)26(24,25)20-9-18-17(19-20)21(22)23/h7-12H,1-6H3 |
InChI Key: | XJBNCASBZVSLGO-UHFFFAOYSA-N |
Boiling Point: | 523.9 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
Appearance: | Light yellow crystalline |
LogP: | 5.39750 |
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 |
WO-2021020879-A1 | Dinucleotide compounds for treating cancers and medical uses thereof | 20190730 |
EP-2915815-A1 | New modified nucleic acid | 20121031 |
EP-2915815-B1 | New modified nucleic acid | 20121031 |
US-2016016983-A1 | New Modified Nucleic Acid | 20121031 |
US-9725474-B2 | Modified nucleic acid | 20121031 |
Complexity: | 579 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.15182643 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.15182643 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 119 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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