6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride

• ChemBase ID: 132410
• Molecular Formular: C5H11ClN2S
• Molecular Mass: 166.67224
• Monoisotopic Mass: 166.03314704
• SMILES: CC1CCN=C(S1)N.Cl
• Canonical SMILES: CC1CCN=C(S1)N.Cl
• InChI: InChI=1S/C5H10N2S.ClH/c1-4-2-3-7-5(6)8-4;/h4H,2-3H2,1H3,(H2,6,7);1H
• InChIKey: HVJCRMIQAMEJNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride
• IUPAC Traditional name: 6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride
• Synonyms: AMT; 2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine

Database IDs

• CAS Number: 1121-91-1
• MDL Number: MFCD00717539
• PubChem SID: 24278017; 162226687
• PubChem CID: 2733501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6693426
• LogD (pH = 7.4): -1.1868467
• Log P: 0.7345905
• Molar Refractivity: 36.8747 cm^3
• Polarizability: 14.160592 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... FPGS(2356)

Product Information

• Purity: ≥98%

DETAILS

Sigma Aldrich - A9834

Biochem/physiol Actions
As a selective type II (inducible) nitric oxide synthase (NOS) inhibitor, AMT was tested against LPS-induced inflammation in rats.1