Basic information
- CAS
35687-29-7- Standard SMILES
Cn1c(COc2ccccc2)n[nH]c1=S- InChIKey
ILRFPLXLFVASAY-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
- English name
- 4-METHYL-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol35687-29-74-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thioneMFCD020915884-methyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione4-methyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiol4-Methyl-5-(phenoxymethyl)-4h-1,2,4-triazol-3-yl hydrosulfideChemDiv3_005802HMS1489H16HMS1671B03ALBB-003300BBL013326
Show more names
ZINC00173322BAS 03069422ZINC00257104AKOS BBS-00003392BUTTPARK 31\03-44TIMTEC-BB SBB009423ART-CHEM-BB B018001
CCG-24802SBB009423STK116769AKOS000100172AKOS003245713IDI1_023712ST099103VS-03753
Database identifiers
- CAS
35687-29-7- PubChem CID
- 772811
- EC Number
- 175-584-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
BUTTPARK[email protected]
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
ART-CHEM-BB[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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