Thieno[2,3-c]pyridine supplier

Name
Thieno[2,3-c]pyridine
EINECS
CAS No. 272-12-8
Article Data16
CAS DataBase
Density 1.272 g/cm³
Solubility
Melting Point 58℃
Formula C₇H₅NS
Boiling Point 255.1 °C at 760 mmHg
Molecular Weight 135.1863
Flash Point 112.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Azabenzo[b]thiophene;6-Azathianaphthene;NSC 152396;Thieno(2,3-c)pyridine;
PSA 41.13000
LogP 2.29630

Thieno[2,3-c]pyridine Specification

The Thieno[2,3-c]pyridine, with the CAS registry number 272-12-8, belongs to the product categories of Building Blocks and Thieno[x,x-y]pyridine. Its classification code is Drug / Therapeutic Agent. And the molecular formula of this chemical is C₇H₅NS.

The physical properties of Thieno[2,3-c]pyridine are as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 10.51; (6)ACD/BCF (pH 7.4): 12.3; (7)ACD/KOC (pH 5.5): 179.13; (8)ACD/KOC (pH 7.4): 209.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 40.57 cm³; (15)Molar Volume: 106.2 cm³; (16)Polarizability: 16.08×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 112.3 °C; (20)Enthalpy of Vaporization: 47.26 kJ/mol; (21)Boiling Point: 255.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0266 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc1c(scc1)c2
(2)InChI: InChI=1/C7H5NS/c1-3-8-5-7-6(1)2-4-9-7/h1-5H
(3)InChIKey: GDQBPBMIAFIRIU-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	140mg/kg (140mg/kg)		French Demande Patent Document. Vol. #2334356,

Product Name

Thieno[2,3-c]pyridine

Thieno[2,3-c]pyridine Specification

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