Basic information
- CAS
27106-12-3- Standard SMILES
O=c1[nH][nH]c(=S)n1-c1ccccc1- InChIKey
RAOXPTJDYMBTGU-UHFFFAOYSA-N- Molecular formula
- C8H7N3OS
- Average molar mass
- 193.23 g/mol
- Monoisotopic mass
- 193.03098303
Names & identifiers
- Preferred name
- 5-Mercapto-4-phenyl-4H-(1,2,4)triazol-3-OL
- IUPAC
- 4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-one
- English name
- 5-mercapto-4-phenyl-4H-1,2,4-triazol-3-ol
- Molecular formula
- C8H7N3OS
- Molecular weight
- 193.23
Names & synonyms
5-MERCAPTO-4-PHENYL-4H-(1,2,4)TRIAZOL-3-OLRefChem:536506683-783-727106-12-35-mercapto-4-phenyl-4H-1,2,4-triazol-3-ol5-mercapto-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-one5-Hydroxy-4-phenyl-1,2,4-triazole-3-thiol4-Phenyl-5-sulfanyl-4H-1,2,4-triazol-3-ol3H-1,2,4-triazol-3-one, 2,4-dihydro-5-mercapto-4-phenyl-4-phenyl-3-sulfanyl-1,2,4-triazolin-5-oneNSC93431
Show more names
1,2,4-Triazolidin-3-one, 4-phenyl-5-thioxo-
MFCD08582841NCIOpen2_001319SCHEMBL7806028SCHEMBL8178332SCHEMBL11619693DTXSID90371473RAOXPTJDYMBTGU-UHFFFAOYSA-N4-phenyl-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Database identifiers
- CAS
27106-12-3- PubChem CID
- 2736604
- DTXSID
DTXSID90371473- EC Number
- 683-783-7
- Nikkaji
- J2.417.808K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 197 °C · 197 °C
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 8.06 · 8.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933998090 · 2933998090
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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