Basic information
- CAS
57295-83-7- Standard SMILES
COc1ccc(-c2n[nH]c(=S)n2C)cc1- InChIKey
GYQUBNVSGYWROW-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- 5-(4-Methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol57295-83-7RefChem:530440859-979-5MFCD019070843-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thiol5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfideSCHEMBL1104413HMS1727G14ALBB-003276SBB006409
Show more names
ZERO/006508ZINC00310273ZINC00083922BAS 02255286AF-872/30552008BUTTPARK 25\03-19AKOS BBS-00000465TIMTEC-BB SBB006409
STK199526AKOS000100194AKOS000273961LS-01257ST057755EU-0012765EN300-08999G41767
Database identifiers
- CAS
57295-83-7- PubChem CID
- 702145
- EC Number
- 859-979-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H312-H332-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- 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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H319-H302-H312-H332-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
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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