2-methyl-1H,5H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
Basic information
- CAS
875160-35-3- Standard SMILES
Cc1nc2c3ccccc3nc(=S)n2[nH]1- InChIKey
OHYMWNARIQBYDT-UHFFFAOYSA-N- Molecular formula
- C10H8N4S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.04696745
Names & identifiers
- Preferred name
- 2-methyl-1H,5H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
- IUPAC
- 2-methyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
Names & synonyms
875160-35-32-methyl-1H,5H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione2-methyl-1H,5H-(1,2,4)triazolo(1,5-c)quinazoline-5-thioneRefChem:474939998-570-72-methyl[1,2,4]triazolo[1,5-c]quinazoline-5-thiol258350-62-82-methyl-[1,2,4]triazolo[1,5-c]quinazoline-5-thiolCHEMBL17792632-Methyl-[1,2,4]triazolo[1,5-c]quinazoline-5(1H)-thione2-methyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione[1,2,4]triazolo[1,5-c]quinazoline-5-thiol, 2-methyl-
Show more names
starbld00295302-methyl[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thioneAKB16035ALBB-017342BDBM50345125SBB082638STK356469STK857988
Database identifiers
- CAS
875160-35-3- PubChem CID
- 866356
- ChEMBL
CHEMBL1779263- EC Number
- 998-570-7
- Nikkaji
- J1.235.233F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 508
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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