-
Name
6-methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride
- EINECS
- CAS No. 120279-87-0
- Density 1.585 g/cm3
- Solubility
- Melting Point
- Formula C8H7ClO3S3
- Boiling Point 459.1 °C at 760 mmHg
- Molecular Weight 282.79
- Flash Point 231.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride;
- PSA 113.13000
- LogP 3.82340
5,6-Dihydro-6-methyl-4-oxo-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride Specification
The 5,6-Dihydro-6-methyl-4-oxo-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride, with the CAS registry number 120279-87-0, has molecular formula C8H7ClO3S3. And its molecular weight is 282.791. What's more, its IUPAC name and systematic name are the same which is called 6-methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride.
Physical properties about this chemical are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.72; (6)ACD/BCF (pH 7.4): 28.72; (7)ACD/KOC (pH 5.5): 384.96; (8)ACD/KOC (pH 7.4): 384.96; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 63.11 cm3; (14)Molar Volume: 178.3 cm3; (15)Surface Tension: 56.8 dyne/cm; (16)Density: 1.585 g/cm3; (17)Flash Point: 231.5 °C; (18)Enthalpy of Vaporization: 71.96 kJ/mol; (19)Boiling Point: 459.1 °C at 760 mmHg; (20)Vapour Pressure: 1.3E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1cc2c(s1)SC(C)CC2=O
(2)InChI: InChI=1/C8H7ClO3S3/c1-4-2-6(10)5-3-7(15(9,11)12)14-8(5)13-4/h3-4H,2H2,1H3
(3)InChIKey: ULWSBNDSDFOIHY-UHFFFAOYAK
Related Products
- 5-0185 (Beilstein Handbook Reference) 6850-22-2
- 5,10,15,20-Tetra(4-methylphenyl)-21H,23H-porphine
- 5,10,15,20-Tetra(4-pyridyl)porphyrin
- 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)-21H,23H-porphine
- 5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin
- 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine
- 5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate
- 5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
- 5,10,15,20-Tetraphenyl-21H,23H-porphine cobalt(II)
- 5,10,15,20-Tetraphenyl-21H,23H-porphine iron(III) chloride
- 120279-88-1
- 120279-96-1
- 120280-13-9
- 12028-06-7
- 120285-29-2
- 1202859-20-8
- 1202859-24-2
- 1202859-37-7
- 1202859-53-7
- 1202859-56-0
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View