1-methyl-1H-1,2,3-triazole-5-sulfonyl chloride - CAS 1496511-50-2
Catalog: |
BB010432 |
Product Name: |
1-methyl-1H-1,2,3-triazole-5-sulfonyl chloride |
CAS: |
1496511-50-2 |
Synonyms: |
3-methyl-4-triazolesulfonyl chloride; 3-methyltriazole-4-sulfonyl chloride |
IUPAC Name: | 3-methyltriazole-4-sulfonyl chloride |
Description: | 1-methyl-1H-1,2,3-triazole-5-sulfonyl chloride (CAS# 1496511-50-2) is a useful research chemical. |
Molecular Weight: | 181.594 |
Molecular Formula: | C3H4ClN3O2S |
Canonical SMILES: | CN1C(=CN=N1)S(=O)(=O)Cl |
InChI: | InChI=1S/C3H4ClN3O2S/c1-7-3(2-5-6-7)10(4,8)9/h2H,1H3 |
InChI Key: | NMQPUZHSYWZTQU-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2014352915-A1 | Octahydro fused azadecalin glucocorticoid receptor modulators | 20131125 |
CA-2931302-A1 | Octahydro fused azadecalin glucocorticoid receptor modulators | 20131125 |
CN-106029066-B | The condensed Azadecalin glucocorticoid receptor modulators of octahydro | 20131125 |
CN-109761976-A | The condensed Azadecalin glucocorticoid receptor modulators of octahydro | 20131125 |
EP-3074011-B1 | Octahydro fused azadecalin glucocorticoid receptor modulators | 20131125 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.9712752 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.9712752 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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