4-methyl-1,3-thiazol-2-amine

• ChemBase ID: 52779
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: c1(nc(cs1)C)N
• Canonical SMILES: Cc1csc(n1)N
• InChI: InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
• InChIKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 2-thiazolamine, 4-methyl-
• Synonyms: 2-Amino-4-methylthiazole; 4-Methylthiazol-2-amine; 4-Methyl-1,3-thiazol-2-amine; 2-Amino-4-methylthiazole; 2-AMINO-4-METHYLTHIAZOLE HYDROCHLORIDE; 4-Methyl-2-thiazolamine; 2-氨基-4-甲基噻唑

Database IDs

• CAS Number: 1603-91-4; 6142-15-0
• EC Number: 216-505-6
• MDL Number: MFCD00005329
• Beilstein Number: 107890
• Merck Index: 14450
• PubChem SID: 162057542; 24891111
• PubChem CID: 74143

CALCULATED PROPERTIES

• Acid pKa: 16.989508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5118328
• LogD (pH = 7.4): 0.61719704
• Log P: 0.6187328
• Molar Refractivity: 30.0316 cm^3
• Polarizability: 11.026283 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-46°C; 43-45°C; 44-47 °C(lit.)
• Boiling Point: 231°C; 231-232 °C(lit.); 231-233°C
• Flash Point: >110°C; 107°C(224°F); 113 °C; 235.4 °F

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Keep Cold; Hygroscopic; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 98+%
• Empirical Formula (Hill Notation): C4H6N2S

DETAILS

MP Biomedicals - 05208068

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A66006

Packaging
5, 25, 100 g in glass bottle