CAS 4815-35-4 2-Amino-5-phenylthiophene-3-carboxamide (HCID 703965)

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Basic information

CAS: 4815-35-4
Standard SMILES: NC(=O)c1cc(-c2ccccc2)sc1N
InChIKey: UHEGYTDIDBFUJD-UHFFFAOYSA-N
Molecular formula: C11H10N2OS
Average molar mass: 218.28 g/mol
Monoisotopic mass: 218.05138412

Names & identifiers

Preferred name: 2-Amino-5-phenylthiophene-3-carboxamide
IUPAC: 2-amino-5-phenylthiophene-3-carboxamide
English name: 2-Amino-5-phenyl-3-thiophenecarboxamide
Molecular formula: C11H10N2OS
Molecular weight: 218.27

Names & synonyms

4815-35-42-amino-5-phenylthiophene-3-carboxamideDTXSID60351580RefChem:255758DTXCID903026462-Amino-5-phenyl-thiophene-3-carboxylic acid amide2-AMINO-5-PHENYL-3-THIOPHENECARBOXAMIDEMFCD01314303CHEMBL382565F0863-0293CBMicro_037044Cambridge id 5914467

Show more names

2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC3-Thiophenecarboxamide, 2-amino-5-phenyl-2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC, 10 mM in DMSO2 AMINO 5 PHENYL THIOPHENE 3 CARBOXYLIC,2AMINO5PHENYLTHIOPHENE3CARBOXYLIC

IKK|A-IN-4Oprea1_326775Oprea1_4454442-amino-5-phenyl-3-thenamideorb1217993orb1298534SCHEMBL3508467SCHEMBL3510525

Database identifiers

CAS: 4815-35-4
PubChem CID: 703965
DTXSID: DTXSID60351580
ChEMBL: CHEMBL382565
EC Number: 978-116-4
Nikkaji

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 218 · 218-220 °C
Boiling point: 395.2 · 395.2±42.0 °C(Predicted)
Density: 1.321 · 1.321±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Sparingly), Methanol (Slightly)
form: Solid
pka: 15.48 · 15.48±0.50(Predicted)
color: Light Yellow to Very Dark Orange
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 29349990
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemistry & industry

Applications

Uses2-AMino-5-phenyl-thiophene-3-carboxylic acid aMide is an 2-Aminothiophene-3-carboxamide derivative and a known inhibitor of janus kinases used in the treatment of myeloproliferative disorders and cancers.