4-Hydroxybenzothiazole
Basic information
- CAS
7405-23-4- Standard SMILES
Oc1cccc2scnc12- InChIKey
NZFKDDMHHUEVPI-UHFFFAOYSA-N- Molecular formula
- C7H5NOS
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.00918496
Overview
pheomelanin precursor
Names & identifiers
- Preferred name
- 4-Hydroxybenzothiazole
- IUPAC
- 1,3-benzothiazol-4-ol
- English name
- 4-Benzothiazolol
- Molecular formula
- C7H5NOS
- Molecular weight
- 151.19
Names & synonyms
4-Benzothiazolol7405-23-44-HydroxybenzothiazoleDTXSID60224947NSC-4032449P649L66JXRefChem:99277DTXCID90147438Benzo[d]thiazol-4-ol1,3-benzothiazol-4-olbenzothiazol-4-olMFCD11046398
Show more names
4-hydroxy-benzothiazol4-Benzothiazolol(6CI,8CI,9CI)4-Benzothiazolol(saMeasBTA-4-0651)
4-hydroxybenzthiazol4-Hydroxy-benzothiazoleNSC 403244CS-W0087474hydroxy benzothiazo4hydroxy benzothiazoleAM861764-hydroxy benzothiazole
Database identifiers
- CAS
7405-23-4- PubChem CID
- 81901
- DTXSID
DTXSID60224947- ChEMBL
CHEMBL1269476- UNII
- 9P649L66JX
- Nikkaji
- J1.658.784B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 143 ℃ · 143℃
- Boiling point
- 312 ℃ · 312℃
- Density
- 1.444 · 1.444
- Flash point
- 142 ℃ · 142℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 7.71 · 7.71±0.40(Predicted)
- color
- Light green to green
- InChI
- InChI=1S/C7H5NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
- InChIKey
- NZFKDDMHHUEVPI-UHFFFAOYSA-N
- SMILES
- S1C2=CC=CC(O)=C2N=C1
- FDA UNII
- 9 P649L66JX · 9P649L66JX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934208090 · 2934208090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBenzo[d]thiazol-4-ol is a constituent of pheomelanin; a polymeric skin-centered pigment which acts as a natural photoprotector against harmful solar-UV radiation.
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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