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CAS No.: | 161404-76-8 |
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Name: | 2H-Thiopyran-3-carboxylicacid,tetrahydro-(9CI) |
Molecular Structure: | |
Formula: | C6H10O2S |
Molecular Weight: | 146.21 |
Synonyms: | 2H-Thiopyran-3-carboxylicacid,tetrahydro-(9CI);2H-Thiopyran-3-carboxylicacid,tetrahydro;Tetrahydro-2H-thiopyran-3-carboxylic acid |
EINECS: | 200-589-5 |
Density: | 1.237 g/cm3 |
Melting Point: | 111.5-112.5℃ |
Boiling Point: | 301.8 °C at 760 mmHg |
Flash Point: | 136.3 °C |
PSA: | 62.60000 |
LogP: | 1.21420 |
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The 2H-Thiopyran-3-carboxylicacid, tetrahydro- has CAS registry number 161404-76-8. It belongs to the product category of Carboxylic acid. Its molecular formula is C6H10O2S and molecular weight is 146.209. What's more, its systematic name is Tetrahydro-2H-thiopyran-3-carboxylic acid.
Physical properties about the 2H-Thiopyran-3-carboxylicacid, tetrahydro- are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.23; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 62.6 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 37.32 cm3; (13)Molar Volume: 118.1 cm3; (14)Surface Tension: 49.3 dyne/cm; (15)Density: 1.237 g/cm3; (16)Flash Point: 136.3 °C; (17)Enthalpy of Vaporization: 59.61 kJ/mol; (18)Boiling Point: 301.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000241 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1CSCCC1
(2) InChI: InChI=1/C6H10O2S/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)
(3) InChIKey: DCMOTEAFHXHTAL-UHFFFAOYAZ