2-Methylnaphtho[2,1-d]thiazole
Basic information
- CAS
20686-62-8- Standard SMILES
Cc1nc2ccc3ccccc3c2s1- InChIKey
OCRIUIGNOKGMOR-UHFFFAOYSA-N- Molecular formula
- C12H9NS
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.04557046
Names & identifiers
- Preferred name
- 2-Methylnaphtho[2,1-d]thiazole
- IUPAC
- 2-methylbenzo[g][1,3]benzothiazole
- English name
- 2-METHYLNAPHTHO[2,1-D]THIAZOLE
- Molecular formula
- C12H9NS
- Molecular weight
- 199.27
Names & synonyms
2-Methylnaphtho[2,1-d]thiazole20686-62-8Naphtho[2,1-d]thiazole, 2-methyl-2-Methylnaphtho(2,1-d)thiazole2-Methyl-naphtho(2,1-d)thiazoleEINECS 243-970-2Naphtho(2,1-d)thiazole, 2-methyl-DTXSID30174743RefChem:476107DTXCID1097234243-970-22-methylbenzo[g][1,3]benzothiazole
Show more names
LABOTEST-BB LT002613682-METHYL-ALPHA-NAPHTHOTHIAZOLENaphtho[2,1-d]thiazole, 2-methyl- (7CI,8CI,9CI)
2-Methylnaphtho[2,1-d][1,3]thiazole2-methylbenzo[g]benzothiazoleBAS 00015479WP9GF6EGE3F9995-0086SCHEMBL4567366CHEMBL1622667SCHEMBL30503124
Database identifiers
- CAS
20686-62-8- PubChem CID
- 89575
- DTXSID
DTXSID30174743- ChEMBL
CHEMBL1622667- UNII
- WP9GF6EGE3
- EC Number
- 243-970-2
- Nikkaji
- J37.309E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 56 · 56-60 °C(lit.)
- Boiling point
- 352.7 · 352.7±11.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 1.65 · 1.65±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H413-H319-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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, P273, 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)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H315-H413-H319-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2-Methylnaphtho[2,1-d]thiazole (cas# 20686-62-8) is a compound useful in organic synthesis.
Suppliers
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Related reactions
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Compound notes
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