Basic information
- CAS
37469-24-2- Standard SMILES
S=c1nc(-c2ccccc2)c(-c2ccccc2)n[nH]1- InChIKey
PESHFZNRQCTMDJ-UHFFFAOYSA-N- Molecular formula
- C15H11N3S
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.06736854
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 3-Mercapto-5,6-diphenyl-1,2,4-triazine
- IUPAC
- 5,6-diphenyl-2H-1,2,4-triazine-3-thione
- English name
- 5,6-diphenyl-1,2,4-triazine-3-thiol
- Molecular formula
- C15H11N3S
- Molecular weight
- 265.33
Names & synonyms
37469-24-25,6-Diphenyl-1,2,4-triazine-3-thiolDTXSID50190905DPTZTRefChem:911461DTXCID501133963-mercapto-5,6-diphenyl-1,2,4-triazine5,6-diphenyl-1,2,4-triazine-3(2H)-thione5,6-diphenyl-2H-1,2,4-triazine-3-thionediphenyl-1,2,4-triazine-3-thiolas-Triazine-3-thiol, 5,6-diphenyl-1,2,4-Triazine-3(2H)-thione, 5,6-diphenyl-
Show more names
as-TRIAZINE-3(2H)-THIONE, 5,6-DIPHENYL-as-Triazine-3-thiol, 5,6-diphenyl- (8CI)5,6-Diphenyl-2H-[1,2,4]triazine-3-thione5,6-di(phenyl)-2H-1,2,4-triazine-3-thione
MFCD000338181,2,4-Triazine-3(4H)-thione, 5,6-diphenyl-MLS000766142NSC 1490175,6-Diphenyl-as-triazine-3(2H)-thioneChemDiv1_0210295,6-diphenyl-1,2,4-triazin-3-ylhydrosulfideCBDivE_012590
Database identifiers
- CAS
37469-24-2- PubChem CID
- 700795
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 209 · 209-210 °C
- Boiling point
- 398.2 · 398.2±25.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.60(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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