Basic information
- CAS
587007-13-4- Standard SMILES
Cc1nc(N)sc1-c1n[nH]c(=S)n1C- InChIKey
CPTCQKPQQFKAHK-UHFFFAOYSA-N- Molecular formula
- C7H9N5S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.02993766
Names & identifiers
- Preferred name
- 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- AURORA 23304
- Molecular formula
- C7H9N5S2
- Molecular weight
- 227.31
Names & synonyms
587007-13-45-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiolRefChem:529248107-499-55-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione3-(2-imino-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thioneF1973-00073-(2-amino-4-methyl(1,3-thiazol-5-yl))-4-methyl-1,2,4-triazoline-5-thioneMFCD04032342SMSSF-0044123
Show more names
AURORA 23304OTAVA-BB BB72164700015-(2-amino-4-methylthiazol-5-yl)-4-methyl-2,4-dihydro-3h-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 5-(2-amino-4-methyl-5-thiazolyl)-2,4-dihydro-4-methyl-
MYA00713SBB016035STK558459STL559722AKOS000273350AKOS023092579NS-02881ST50066310
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 384 · 384.0±44.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 8.15 · 8.15±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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