4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
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Basic information
- CAS
80809-38-7- Standard SMILES
Nn1c(-c2ccco2)n[nH]c1=S- InChIKey
XLYBWYJEEHPZMQ-UHFFFAOYSA-N- Molecular formula
- C6H6N4OS
- Average molar mass
- 182.21 g/mol
- Monoisotopic mass
- 182.026232
Overview
4-amino-3-(2-furanyl)-1H-1,2,4-triazole-5-thione is a member of triazoles.
Names & identifiers
- Preferred name
- 4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-amino-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
- English name
- 4-AMINO-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C6H6N4OS
- Molecular weight
- 182.2
Names & synonyms
4-amino-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiolRefChem:517908861-541-380809-38-74-amino-5-(2-furyl)-4H-1,2,4-triazole-3-thiolMFCD030443884-amino-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione4-AMINO-5-(2-FURANYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE4H-1,2,4-triazole-3-thiol, 4-amino-5-(2-furanyl)-4-amino-5-(2-furyl)-4h-1,2,4-triazol-3-yl hydrosulfide4-amino-3-(furan-2-yl)-1H-1,2,4-triazole-5(4H)-thione4-Amino-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
4-amino-5-(2-furyl)-2H-1,2,4-triazole-3-thione4-amino-5-furan-2-yl-2H-1,2,4-triazole-3-thione4-Amino-3-(furan-2-yl)-1H-[1,2,4]-triazol-5(4H)-thione4-Amino-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-Triazol-3-thione3H-1,2,4-Triazole-3-thione,4-aMino-5-(2-furanyl)-2,4-dihydro-
4-amino-5-(2-furyl)-1,2,4-triazole-3-thiol4-Amino-5-furan-2-yl-4H-[1,2,4]triazole-3-thiolOprea1_561952Oprea1_771719MLS000079999SCHEMBL39949084-Amino-5-furan-2-yl-4H-[1,2,4-]-triazole-3-thiolCHEMBL1548655
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- form
- crystals
- color
- Beige
- InChI
- 1S/C6H6N4OS/c7-10-5(8-9-6(10)12)4-2-1-3-11-4/h1-3H,7H2,(H,9,12)
- InChIKey
- XLYBWYJEEHPZMQ-UHFFFAOYSA-N
- SMILES
- Sc1[n](c(nn1)c2[o]ccc2)N
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 4-amino-3-(2-furanyl)-1H-1,2,4-triazole-5-thione is a member of triazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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