1,3-thiazolidine

• ChemBase ID: 104698
• Molecular Formular: C3H7NS
• Molecular Mass: 89.15938
• Monoisotopic Mass: 89.02992023
• SMILES: C1CSCN1
• Canonical SMILES: C1NCCS1
• InChI: InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
• InChIKey: OGYGFUAIIOPWQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazolidine
• IUPAC Traditional name: thiazolidine
• Synonyms: Tetrahydrothiazole; THIAZOLIDINE; Thiazolidine; 噻唑烷; 四氢噻唑

Database IDs

• CAS Number: 504-78-9
• EC Number: 208-002-5
• MDL Number: MFCD00005211
• PubChem SID: 24848961; 162091617
• PubChem CID: 10444
• Wikipedia Title: Thiazolidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7925534
• LogD (pH = 7.4): -1.1514635
• Log P: 0.07332284
• Molar Refractivity: 24.9942 cm^3
• Polarizability: 10.120109 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165°C; 72-75 °C at 25 torr; 72-75 °C/25 mmHg(lit.); 72-75°C
• Flash Point: 132.8 °F; 56 °C; 56.11°C; 56°C(133°F)
• Density: 1.131; 1.131 g/cm^3; 1.131 g/ml @ 25°C; 1.131 g/mL at 25 °C(lit.)
• Refractive Index: 1.5545; n20/D 1.5508(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: XJ5123700
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 36/37/38; R:10
• Safety Statements: 26-37; S:9-16-29
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ~95%; 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C3H7NS

DETAILS

MP Biomedicals - 02156848

Purity: ~95%

Sigma Aldrich - 149691

Packaging
1, 5, 25 g in glass bottle