Basic information
- CAS
5373-68-2- Standard SMILES
Nc1n[nH]c(=S)n1-c1ccccc1- InChIKey
CBILWXOSKBQRGX-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696745
Names & identifiers
- Preferred name
- 5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiol
- IUPAC
- 3-amino-4-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
5-Amino-4-phenyl-4H-[1,2,4]triazole-3-thiol5-Amino-4-phenyl-4H-(1,2,4)triazole-3-thiolRefChem:532333684-285-25373-68-25-amino-4-phenyl-4h-1,2,4-triazole-3-thiol5-amino-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneNSC458925-amino-4-phenyl-2H-1,2,4-triazole-3-thioneCBDivE_003148SCHEMBL544662SCHEMBL11432385
Show more names
DTXSID80968497NSC-45892NSC148162STL272151AKOS000113634AKOS003620146NSC-148162SDCCGMLS-0064557.P001
Database identifiers
- CAS
5373-68-2- PubChem CID
- 786455
- DTXSID
DTXSID80968497- EC Number
- 684-285-2
- Nikkaji
- J1.713.262H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…