3-(Methylthio)-1,2,4-triazole - CAS 7411-18-9
Catalog: |
BB034986 |
Product Name: |
3-(Methylthio)-1,2,4-triazole |
CAS: |
7411-18-9 |
Synonyms: |
5-(methylthio)-1H-1,2,4-triazole; 5-methylsulfanyl-1H-1,2,4-triazole |
IUPAC Name: | 5-methylsulfanyl-1H-1,2,4-triazole |
Description: | 3-(Methylthio)-1,2,4-triazole (CAS# 7411-18-9 ) is a useful research chemical. |
Molecular Weight: | 115.16 |
Molecular Formula: | C3H5N3S |
Canonical SMILES: | CSC1=NC=NN1 |
InChI: | InChI=1S/C3H5N3S/c1-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6) |
InChI Key: | QBQOOUMQVKQIQH-UHFFFAOYSA-N |
Boiling Point: | 293.6 °C at 760 mmHg |
Density: | 1.35 g/cm3 |
MDL: | MFCD01312671 |
LogP: | 0.52660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021069567-A1 | Novel heteroaryl-triazole compounds as pesticides | 20191009 |
JP-2019020522-A | Photosensitive resin composition, cured film and electronic device | 20170713 |
JP-2019006686-A | Pest control composition and use thereof | 20170621 |
EP-3608327-A1 | Triazole silane compound, method for synthesizing said compound and use thereof | 20170407 |
JP-WO2018186476-A1 | Triazole silane compound, method for synthesizing the compound and use thereof | 20170407 |
Complexity: | 58.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.02041835 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.02041835 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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