5-Benzoxazolecarboxylicacid, 2,3-dihydro-2-thioxo- supplier

Name
2-MERCAPTOBENZOOXAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 7341-98-2
Density 1.66 g/cm³
Solubility
Melting Point 280-283℃
Formula C₈H₅NO₃S
Boiling Point 391.3 °C at 760 mmHg
Molecular Weight 195.199
Flash Point 190.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Benzoxazolecarboxylicacid, 2-mercapto- (7CI,8CI);2-sulfanylbenzoxazole-5-carboxylic acid;2-Mercaptobenzooxazole-5-carboxylic acid;2-Sulfanyl-1,3-benzoxazole-5-carboxylic acid;2-mercapto-1,3-benzoxazole-5-carboxylic acid;
PSA 102.13000
LogP 1.81470

5-Benzoxazolecarboxylicacid, 2,3-dihydro-2-thioxo- Specification

The 5-Benzoxazolecarboxylicacid, 2,3-dihydro-2-thioxo-, with the CAS registry number 7341-98-2, is also known as 2-Sulfanyl-1,3-benzoxazole-5-carboxylic acid. This chemical's molecular formula is C₈H₅NO₃S and molecular weight is 195.2. What's more, its systematic name is 2-thioxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid.

Physical properties of 5-Benzoxazolecarboxylicacid, 2,3-dihydro-2-thioxo- are: (1)ACD/LogP: 2.06; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 70.86 Å²; (11)Index of Refraction: 1.756; (12)Molar Refractivity: 48.11 cm³; (13)Molar Volume: 117.3 cm³; (14)Polarizability: 19.07×10^-24 cm³; (15)Surface Tension: 96.8 dyne/cm; (16)Density: 1.66 g/cm³; (17)Flash Point: 190.5 °C; (18)Enthalpy of Vaporization: 67.6 kJ/mol; (19)Boiling Point: 391.3 °C at 760 mmHg; (20)Vapour Pressure: 7.96E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c2cc1c(OC(=S)N1)cc2
(2)InChI: InChI=1/C8H5NO3S/c10-7(11)4-1-2-6-5(3-4)9-8(13)12-6/h1-3H,(H,9,13)(H,10,11)
(3)InChIKey: GUGDWCNTMFYFRB-UHFFFAOYAC

Product Name

2-MERCAPTOBENZOOXAZOLE-5-CARBOXYLIC ACID

5-Benzoxazolecarboxylicacid, 2,3-dihydro-2-thioxo- Specification

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