Basic information
- CAS
77528-47-3- Standard SMILES
OCC1CCCc2scnc21- InChIKey
OPITVRBXKRIOFT-UHFFFAOYSA-N- Molecular formula
- C8H11NOS
- Average molar mass
- 169.25 g/mol
- Monoisotopic mass
- 169.05613515
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrahydro-4-benzothiazolemethanol
- IUPAC
- 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanol
Names & synonyms
77528-47-3(4,5,6,7-Tetrahydro-1,3-benzothiazol-4-yl)methanolDTXSID0012669664,5,6,7-Tetrahydro-4-benzothiazolemethanolRefChem:507571DTXCID801697612833-872-3(4,5,6,7-tetrahydrobenzo[d]thiazol-4-yl)methanol4-Benzothiazolemethanol, 4,5,6,7-tetrahydro-OPITVRBXKRIOFT-UHFFFAOYSA-NEN300-52139224-Hydroxymethyl-4,5,6,7-tetrahydro-benzo[d]thiazole
Database identifiers
- CAS
77528-47-3- PubChem CID
- 12917751
- DTXSID
DTXSID001266966- EC Number
- 833-872-3
- Nikkaji
- J1.636.510F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
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, 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%)
Related reactions
5 records
Compound notes
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