2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine

HCID 22337487

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Basic information

CAS: 374824-28-9
Standard SMILES: c1ccc(-c2nc3c(s2)CNCC3)cc1
InChIKey: ZWIKGWINLWHWRV-UHFFFAOYSA-N
Molecular formula: C12H12N2S
Average molar mass: 216.3 g/mol
Monoisotopic mass: 216.07211938

Names & identifiers

Preferred name: 2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine
IUPAC: 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
English name: 2-PHENYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDINE
Molecular formula: C12H12N2S
Molecular weight: 216.3

Names & synonyms

2-phenyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridineRefChem:478083834-220-0374824-28-92-Phenyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine2-phenyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine2-PHENYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDINESCHEMBL407298DTXSID40624941ZWIKGWINLWHWRV-UHFFFAOYSA-N

Show more names

4,5,6,7-tetrahydro-2-phenyl-Thiazolo[5,4-c]pyridineThiazolo[5,4-c]pyridine, 4,5,6,7-tetrahydro-2-phenyl-

ZPA82428MFCD09702700AKOS004912434CCG-355640DA-22023NS-02512EN300-236542G23299

Database identifiers

CAS: 374824-28-9
PubChem CID: 22337487
DTXSID: DTXSID40624941
EC Number: 834-220-0

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 53.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 216

Physicochemical properties

Boiling point: 394.9 · 394.9±34.0 °C(Predicted)
Density: 1.199 · 1.199±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.74 · 7.74±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

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%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362