1,4-Benzodithiin,2,3-dihydro- supplier

Name
2,3-DIHYDRO-1,4-BENZODITHIIN
EINECS
CAS No. 6247-55-8
Article Data1
CAS DataBase
Density 1.244 g/cm³
Solubility
Melting Point
Formula C₈H₈S₂
Boiling Point 269.1 °C at 760 mmHg
Molecular Weight 168.284
Flash Point 123 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Benzodithian(8CI);Benzodithiene;2,3-Dihydro-1,4-benzodithiin;2,3-Dihydrobenzo[b][1,4]dithiine;
PSA 50.60000
LogP 2.88440

1,4-Benzodithiin,2,3-dihydro- Specification

The 1,4-Benzodithiin,2,3-dihydro-, with the CAS registry number 6247-55-8, is also known as Benzodithiene. This chemical's molecular formula is C₈H₈S₂ and molecular weight is 168.28. What's more, its systematic name is 2,3-dihydro-1,4-benzodithiine.

Physical properties of 1,4-Benzodithiin,2,3-dihydro- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/BCF (pH 5.5): 116.07; (5)ACD/KOC (pH 5.5): 1045.99; (6)ACD/KOC (pH 7.4): 1045.99; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 50.6 Å²; (9)Index of Refraction: 1.663; (10)Molar Refractivity: 50.13 cm³; (11)Molar Volume: 135.2 cm³; (12)Polarizability: 19.87×10^-24cm³; (13)Surface Tension: 52.8 dyne/cm; (14)Density: 1.244 g/cm³; (15)Flash Point: 123 °C; (16)Enthalpy of Vaporization: 48.68 kJ/mol; (17)Boiling Point: 269.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CSC2=CC=CC=C2S1
(2)InChI: InChI=1S/C8H8S2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
(3)InChIKey: VIDHILKLKOQXEB-UHFFFAOYSA-N

Product Name

2,3-DIHYDRO-1,4-BENZODITHIIN

1,4-Benzodithiin,2,3-dihydro- Specification

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