4-Methylthiazole-2-carbonitrile - CAS 100516-98-1
Catalog: |
BB000247 |
Product Name: |
4-Methylthiazole-2-carbonitrile |
CAS: |
100516-98-1 |
Synonyms: |
4-methyl-1,3-thiazole-2-carbonitrile |
IUPAC Name: | 4-methyl-1,3-thiazole-2-carbonitrile |
Description: | 4-Methylthiazole-2-carbonitrile (CAS# 100516-98-1) is a useful research chemical. |
Molecular Weight: | 124.16 |
Molecular Formula: | C5H4N2S |
Canonical SMILES: | CC1=CSC(=N1)C#N |
InChI: | InChI=1S/C5H4N2S/c1-4-3-8-5(2-6)7-4/h3H,1H3 |
InChI Key: | ZLJOKRUAKFPDRN-UHFFFAOYSA-N |
Boiling Point: | 222.3 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.25 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.32318 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020085980-A1 | Caspase-3-triggered molecular self-assembling pet probes and uses thereof | 20180914 |
AU-2018291688-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections | 20170627 |
CA-3066857-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20170627 |
CN-110809574-A | Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection | 20170627 |
EP-3645516-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20170627 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.00951931 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.00951931 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Oxazole/Thiazole
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