2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one supplier

Name
2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one
EINECS
CAS No. 872283-26-6
Article Data5
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point 38-39 °C
Formula C₁₁H₁₂OS
Boiling Point 341.386 °C at 760 mmHg
Molecular Weight 192.282
Flash Point 184.428 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6,8-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-one;Mbmtpp;6,8-Dimethyl-thiochroman-4-on;MIII;6,8-dimethylthio-7-methylpyrrolo <1,2-a> pyrazine;6,8-dimethyl-thiochroman-4-one;7-methyl-6,8-dimethylthio-pyrrolo<1,2-a>pyrazine;Metabolite III;7-Methyl-6,8-bis(methylthio)pyrrolo[1,2-a]pyrazine;
PSA 42.37000
LogP 2.98190

2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one Specification

The 2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one with the cas number 872283-26-6 is also called 6,8-dimethylthiochroman-4-one. Its molecular formula is C₁₁H₁₂OS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.144; (4)ACD/LogD (pH 7.4): 1.144; (5)ACD/BCF (pH 5.5): 4.362; (6)ACD/BCF (pH 7.4): 4.362; (7)ACD/KOC (pH 5.5): 99.894; (8)ACD/KOC (pH 7.4): 99.894; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 56.37 cm³; (15)Molar Volume: 164.789 cm³; (16)Polarizability: 22.347×10^-24cm³; (17)Surface Tension: 44.933 dyne/cm; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c2c(c1)C(=O)CCS2)C
(2)InChI: InChI=1/C11H12OS/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6H,3-4H2,1-2H3
(3)InChIKey: BRNGNWTZZNSGAK-UHFFFAOYAL

Product Name

2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one

2,3-Dihydro-6,8-dimethyl-4H-1-benzothiopyran-4-one Specification

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