Basic information
- CAS
138417-37-5- Standard SMILES
Cc1ccc(-c2n[nH]c(=S)n2C)cc1- InChIKey
MYBRNSIBHZNBGY-UHFFFAOYSA-N- Molecular formula
- C10H11N3S
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.06736854
Names & identifiers
- Preferred name
- 4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
- English name
- 4-METHYL-5-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C10H11N3S
- Molecular weight
- 205.28
Names & synonyms
138417-37-54-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiolDTXSID70351516RefChem:294357DTXCID10302582830-703-54-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thioneMFCD006627944-Methyl-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(4-methylphenyl)-MLS0001082724-methyl-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
ST5213471EU-0046155Albb-003267BAS 01053997ZINC00083933ZINC00124601AG-690/12893040AKOS BBS-00003290
SMR0001042334-methyl-3-(p-tolyl)-1H-1,2,4-triazole-5-thione4-methyl-5-(4-methylphenyl)-1,2,4-triazole-3-thiol4-Methyl-5-(4-methylphenyl)-4h-1,2,4-triazol-3-yl hydrosulfidecid_702153SCHEMBL1544604CHEMBL1605312BDBM37270
Database identifiers
- CAS
138417-37-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 285.4 · 285.4±33.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 8.97 · 8.97±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xi
- 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
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H332-H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
济宁一泽医药科技有限公司15192473210 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [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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