Thieno[3,2-d]pyrimidin-4(3H)-one,7-bromo- supplier

Name
7-BROMOTHIENO[3,2-D]PYRIMIDIN-4(1H)-ONE
EINECS 1308068-626-2
CAS No. 31169-25-2
Article Data19
CAS DataBase
Density 2.185 g/cm³
Solubility
Melting Point
Formula C₆H₃BrN₂OS
Boiling Point 452.733 °C at 760 mmHg
Molecular Weight 231.073
Flash Point 227.605 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thieno[3,2-d]pyrimidin-4(1H)-one,7-bromo- (9CI);7-bromothieno[3,2-d]pyrimidin-4(3H)-one;7-Bromothieno[3,2-d]pyrimidin-4(1H)-one;7-Bromothieno[3,2-d]pyrimidin-4-ol;thieno[3,2-d]pyrimidin-4(1H)-one, 7-bromo-;thieno[3,2-d]pyrimidin-4-ol, 7-bromo-;Thieno[3,2-d]pyrimidin-4(3H)-one, 7-bromo-;
PSA 73.99000
LogP 1.74710

Thieno[3,2-d]pyrimidin-4(3H)-one,7-bromo- Specification

The Thieno[3,2-d]pyrimidin-4(3H)-one,7-bromo-, with the CAS registry number 31169-25-2, has the systematic name of 7-bromothieno[3,2-d]pyrimidin-4(3H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₃BrN₂OS.

The characteristics of Thieno[3,2-d]pyrimidin-4(3H)-one,7-bromo- are as followings: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 103; (8)ACD/KOC (pH 7.4): 103; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 69.7 Å²; (13)Index of Refraction: 1.854; (14)Molar Refractivity: 47.422 cm³; (15)Molar Volume: 105.776 cm³; (16)Polarizability: 18.799×10^-24cm³; (17)Surface Tension: 78.296 dyne/cm; (18)Density: 2.185 g/cm³; (19)Flash Point: 227.605 °C; (20)Enthalpy of Vaporization: 71.201 kJ/mol; (21)Boiling Point: 452.733 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2N\C=N/c1c2scc1Br
(2)InChI: InChI=1/C6H3BrN2OS/c7-3-1-11-5-4(3)8-2-9-6(5)10/h1-2H,(H,8,9,10)
(3)InChIKey: SFFNZDXKMOSLNK-UHFFFAOYAH

Product Name

7-BROMOTHIENO[3,2-D]PYRIMIDIN-4(1H)-ONE

Thieno[3,2-d]pyrimidin-4(3H)-one,7-bromo- Specification

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