(1,2-Thiazol-5-yl)methanol
Basic information
- CAS
1710-66-3- Standard SMILES
OCc1ccns1- InChIKey
VDJLMGHKRZLAFP-UHFFFAOYSA-N- Molecular formula
- C4H5NOS
- Average molar mass
- 115.16 g/mol
- Monoisotopic mass
- 115.00918496
Names & identifiers
- Preferred name
- (1,2-Thiazol-5-yl)methanol
- IUPAC
- 1,2-thiazol-5-ylmethanol
- English name
- Isothiazole-5-methanol
- Molecular formula
- C4H5NOS
- Molecular weight
- 115.15
Names & synonyms
(1,2-Thiazol-5-yl)methanolRefChem:391299891-117-31710-66-3Isothiazol-5-ylmethanol5-IsothiazolemethanolIsothiazol-5-yl-methanol1,2-thiazol-5-ylmethanol(Isothiazol-5-yl)methanolisothiazole-5-methanol5-(Hydroxymethyl)isothiazoleMFCD16497122
Show more names
(1,2-Thiazol-5-yl)methanol - [T88420]
Lsothiazole-5-Methanol5-Isothiazolylmethanol #SCHEMBL3150130SCHEMBL9579333SCHEMBL27742226DTXSID20339900VDJLMGHKRZLAFP-UHFFFAOYSA-NAKOS015951429
Database identifiers
- CAS
1710-66-3- PubChem CID
- 559799
- DTXSID
DTXSID20339900- EC Number
- 891-117-3
- Nikkaji
- J101.010G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.7
Physicochemical properties
- Boiling point
- 135.8 · 135.8±22.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.61 · 13.61±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-Isothiazolemethanol is used to prepare 1β-methylcarbapenems with isothiazoloethenyl side chains that exhibit antibaterial activities.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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