-
Name
THIOMORPHOLINE HYDROCHLORIDE
- EINECS 227-757-1
- CAS No. 5967-90-8
- Article Data3
- CAS DataBase
- Density 1.09 g/mL at 25 °C(lit.)
- Solubility
- Melting Point 174-177 °C
- Formula C4H10ClNS
- Boiling Point 170 °C at 760 mmHg
- Molecular Weight 139.649
- Flash Point 60 °C
- Transport Information
- Appearance
- Safety 22-24/25
- Risk Codes 34-37
-
Molecular Structure
- Hazard Symbols C
- Synonyms Thiomorpholine,hydrochloride (8CI,9CI);Thiamorpholine hydrochloride;
- PSA 37.33000
- LogP 1.45360
Thiomorpholine hydrochloride Specification
The Thiomorpholine,hydrochloride (1:1), with the CAS registry number 5967-90-8, is also known as Thiamorpholine hydrochloride. It belongs to the product category of Heterocyclic Compounds. Its EINECS registry number is 227-757-1. This chemical's molecular formula is C4H10ClNS and molecular weight is 139.65. What's more, its IUPAC name is the same with its product name. When you are dealing with this chemical, you should be very careful. The gas can not be breathed. You should avoid contacting with skin and eyes.
Physical properties about Thiomorpholine,hydrochloride (1:1) are: (1)ACD/LogP: 0.266; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.72; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.54 Å2; (13)Flash Point: 60 °C; (14)Enthalpy of Vaporization: 40.64 kJ/mol; (15)Boiling Point: 170 °C at 760 mmHg; (16)Vapour Pressure: 1.5 mmHg at 25 °C.
Uses of Thiomorpholine,hydrochloride (1:1): it is used to produce other chemicals. For example, it can produce Thiomorpholine 1,1-dioxide. The reaction occurs with reagents AcOH, H2O2 at temperature of 100 °C. The yield is 40 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.S1CCNCC1
(2) InChI: InChI=1S/C4H9NS.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
(3) InChIKey: QSJAHJYXDRUZMY-UHFFFAOYSA-N
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