CAS No.106691-21-8,4-CHLORO-6-METHYLTHIENO[2,3-D]PYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	106691-21-8
Name:	4-CHLORO-6-METHYLTHIENO[2,3-D]PYRIMIDINE
Article Data:	7

Formula:	C₇H₅ClN₂S
Molecular Weight:	184.649
Synonyms:	RW3777;6-Methyl-4-chlorothieno<2,3-d>pyrimidine;4-chloro-6-methylthieno<2,3-d>pyrimidine;Thieno[2,3-d]pyrimidine,4-chloro-6-methyl;
Density:	1.445 g/cm³
Melting Point:	88-91℃ (sublm)
Boiling Point:	301.3 °C at 760 mmHg
Flash Point:	136 °C
Risk Codes:	36
Safety:	26
PSA:	54.02000
LogP:	2.65310

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Specification

The Thieno[2,3-d]pyrimidine, 4-chloro-6-methyl- has the CAS registry number 106691-21-8. This chemical's molecular formula is C₇H₅ClN₂S and molecular weight is 184.65. What's more, its systematic name is 4-chloro-6-methylthieno[2,3-d]pyrimidine.

Physical properties of Thieno[2,3-d]pyrimidine, 4-chloro-6-methyl- are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.38; (6)ACD/BCF (pH 7.4): 30.38; (7)ACD/KOC (pH 5.5): 400.7 ; (8) ACD/KOC (pH 7.4): 400.7; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 48.38 cm³; (15)Molar Volume: 127.7 cm³; (16)Polarizability: 19.18×10^-24cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.445 g/cm³; (19)Flash Point: 136 °C; (20)Enthalpy of Vaporization: 51.98 kJ/mol; (21)Boiling Point: 301.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0019 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1sc(cc12)C
(2)Std. InChI: InChI=1S/C7H5ClN2S/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3
(3)Std. InChIKey: NNEBWENPZIGRQK-UHFFFAOYSA-N