-
Name
4-CHLORO-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE
- EINECS
- CAS No. 40493-18-3
- Article Data52
- CAS DataBase
- Density 1.419 g/cm3
- Solubility
- Melting Point 228℃ (N,N-dimethylformamide water )
- Formula C10H9ClN2S
- Boiling Point 377.2 °C at 760 mmHg
- Molecular Weight 224.714
- Flash Point 181.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms [1]BENZOTHIENO[2,3-D]PYRIMIDINE, 4-CHLORO-5,6,7,8-TETRAHYDRO-;AKOS 92587;AKOS BBS-00004607;AKOS USSH-4110760;4-CHLORO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE;4-CHLORO-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE;IFLAB-BB F1126-0518;BUTTPARK 59\40-36
- PSA 54.02000
- LogP 3.22350
4-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine Specification
This chemical is called 4-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, and its CAS registry number is 40493-18-3. With the molecular formula of C10H9ClN2S, its molecular weight is 224.71.
Other characteristics of the 4-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine can be summarised as followings: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 54.02 Å2; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 60.34 cm3; (9)Molar Volume: 158.2 cm3; (10)Polarizability: 23.92×10-24cm3; (11)Surface Tension: 62.3 dyne/cm; (12)Density: 1.419 g/cm3; (13)Flash Point: 181.9 °C; (14)Enthalpy of Vaporization: 60.04 kJ/mol; (15)Boiling Point: 377.2 °C at 760 mmHg; (16)Vapour Pressure: 1.49E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ncnc1sc3c(c12)CCCC3
2.InChI: InChI=1/C10H9ClN2S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2
3.InChIKey: PRNJDUCSVXTOTN-UHFFFAOYAX
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