CAS 39136-63-5 5-Phenyl-thiazol-2-ylamine (HCID 873119)

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Basic information

CAS: 39136-63-5
Standard SMILES: Nc1ncc(-c2ccccc2)s1
InChIKey: LSLUWQIENURREM-UHFFFAOYSA-N
Molecular formula: C9H8N2S
Average molar mass: 176.24 g/mol
Monoisotopic mass: 176.04081926

Overview

structure in first source

Names & identifiers

Preferred name: 5-Phenyl-thiazol-2-ylamine
IUPAC: 5-phenyl-1,3-thiazol-2-amine
English name: 5-phenylthiazol-2-amine
Molecular formula: C9H8N2S
Molecular weight: 176.24

Names & synonyms

5-PHENYL-THIAZOL-2-YLAMINERefChem:5377435-Phenylthiazol-2-amine39136-63-52-Amino-5-phenylthiazole5-phenyl-1,3-thiazol-2-amine2-thiazolamine, 5-phenyl-MFCD00022451EINECS 254-312-9Cambridge id 5655136Oprea1_837745SCHEMBL69900

Show more names

2-AMino-5-phenylthiazol5-Phenyl-2-thiazolamine5-Phenylthiazole-2-amine

DTXSID50192383AB01318AC-7236FS-3584SY005298P2865CEPHALOTHINSODIUMSALTBB 0301294

Database identifiers

CAS: 39136-63-5
PubChem CID: 873119
DTXSID: DTXSID50192383
EC Number: 254-312-9
Nikkaji: J261.318B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 256 · 256-257℃
Boiling point: 363.4 · 363.4±11.0 °C(Predicted)
Density: 1.261 · 1.261
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 4.63 · 4.63±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.