(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methanol
Basic information
- CAS
65029-36-9- Standard SMILES
Cn1c(CO)n[nH]c1=S- InChIKey
IBWZWRZRXBVCRS-UHFFFAOYSA-N- Molecular formula
- C4H7N3OS
- Average molar mass
- 145.19 g/mol
- Monoisotopic mass
- 145.03098303
Names & identifiers
- Preferred name
- (4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methanol
- IUPAC
- 3-(hydroxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(hydroxymethyl)-4-methyl- (9CI)
- Molecular formula
- C4H7N3OS
- Molecular weight
- 145.18
Names & synonyms
65029-36-9(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methanolRefChem:403014861-364-1(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methanolMFCD221925763-(hydroxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione(5-Mercapto-4-methyl-4H-124-triazol-3-yl)methanol4H-1,2,4-triazole-3-methanol, 5-mercapto-4-methyl-3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(hydroxymethyl)-4-methyl- (9CI)SCHEMBL942487SCHEMBL12798236
Show more names
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(hydroxymethyl)-4-methyl-
IBWZWRZRXBVCRS-UHFFFAOYSA-NALBB-022271STL284672AKOS015997901AS-32318DB-271674EN300-97317D87342
Database identifiers
- CAS
65029-36-9- PubChem CID
- 15080909
- EC Number
- 861-364-1
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 214.2 · 214.2±42.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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