-
Name
4-(5-CHLORO-2-THIENYL)-6-METHYL-2-PYRIMIDINAMINE
- EINECS
- CAS No. 199864-44-3
- Density 1.4 g/cm3
- Solubility
- Melting Point
- Formula C9H8ClN3S
- Boiling Point 421.2 °C at 760 mmHg
- Molecular Weight 225.6979
- Flash Point 208.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-(5-CHLORO-2-THIENYL)-6-METHYL-2-PYRIMIDINAMINE;4-(5-CHLORO-2-THIENYL)-6-METHYL-2-PYRIMIDINYLAMINE;4-(5-CHLOROTHIEN-2-YL)-6-METHYLPYRIMIDIN-2-AMINE
- PSA 80.04000
- LogP 3.33030
2-Pyrimidinamine,4-(5-chloro-2-thienyl)-6-methyl- Specification
The 2-Pyrimidinamine,4-(5-chloro-2-thienyl)-6-methyl- is an organic compound with the formula C9H8ClN3S. The systematic name of this chemical is 4-(5-Chlorothiophen-2-yl)-6-methylpyrimidin-2-amine. With the CAS registry number 199864-44-3, it is also named as 4-(5-Chloro-2-thienyl)-6-methyl-2-pyrimidinamine. Besides, its molecular weight is 225.7.
The physical properties of 2-Pyrimidinamine,4-(5-chloro-2-thienyl)-6-methyl- are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.57; (4)ACD/BCF (pH 5.5): 51.9; (5)ACD/BCF (pH 7.4): 52.59; (6)ACD/KOC (pH 5.5): 585.71; (7)ACD/KOC (pH 7.4): 593.47; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.26 Å2; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 59.36 cm3; (14)Molar Volume: 161.1 cm3; (15)Polarizability: 23.53×10-24 cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Density: 1.4 g/cm3; (18)Flash Point: 208.5 °C; (19)Enthalpy of Vaporization: 67.51 kJ/mol; (20)Boiling Point: 421.2 °C at 760 mmHg; (21)Vapour Pressure: 2.66E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2sc(c1nc(nc(c1)C)N)cc2
(2)InChI: InChI=1/C9H8ClN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13)
(3)InChIKey: BROZZROKXQWZDI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8ClN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13)
(5)Std. InChIKey: BROZZROKXQWZDI-UHFFFAOYSA-N
Related Products
- 2-Pyrimidinamine, 4-methyl-6-(4-morpholinyl)-
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- 2-Pyrimidinamine, 5-methyl- (9CI)
- 2-Pyrimidinamine,1,4,5,6-tetrahydro-N-nitro-
- 2-Pyrimidinamine,4-(1,1-dimethylethyl)-6-(trifluoromethyl)-
- 2-Pyrimidinamine,4-(2-pyridinyl)-
- 2-Pyrimidinamine,4-(2-thienyl)-
- 2-Pyrimidinamine,4-(4-bromophenyl)-
- 2-Pyrimidinamine,4-(4-chlorophenyl)-6-methyl-
- 2-Pyrimidinamine,4-(4-pyridinyl)-
- 1998-66-9
- 199866-90-5
- 199871-63-1
- 19989-66-3
- 19989-67-4
- 1999-00-4
- 19991-68-5
- 19992-45-1
- 199926-33-5
- 199932-99-5
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