Basic information
- Name:
Thieno[2,3-d]pyrimidin-4(1H)-one
- Superlist Name:
- Thieno[2,3-d]pyrimidin-4(3H)-one
- CAS No.:
14080-50-3
- Molecular Structure:
![Molecular Structure of 14080-50-3 (Thieno[2,3-d]pyrimidin-4(1H)-one)](http://www.lookchem.com/300w/2010/074/14080-50-3.jpg)
- Formula:
- C6H4N2OS
- Molecular Weight:
- 152.17
- Synonyms:
- Thieno[2,3-d]pyrimidin-4(3H)-one(8CI);1H-Thieno[2,3-d]pyrimidin-4-one;3H-Thieno[2,3-d]pyrimidin-4-one;4-Hydroxythieno[2,3-d]pyrimidine;Thieno[2,3-d]pyrimidin-4-ol;
- Density:
- 1.634 g/cm3
- Melting Point:
- 262-265 °C
- Boiling Point:
- 391.056 °C at 760 mmHg
- Flash Point:
- 190.304 °C
- Appearance:
- Brown solid
- Hazard Symbols:
Xi
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Chemistry
Molecular structure of Thieno[2,3-d]pyrimidin-4(3H)-one (CAS NO.14080-50-3) is:
Product Name: Thieno[2,3-d]pyrimidin-4(3H)-one
CAS Registry Number: 14080-50-3
IUPAC Name: 3H-thieno[2,3-d]pyrimidin-4-one
Molecular Weight: 152.17376 [g/mol]
Molecular Formula: C6H4N2OS
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Index of Refraction: 1.801
Molar Refractivity: 39.865 cm3
Molar Volume: 93.131 cm3
Surface Tension: 71.799 dyne/cm
Density: 1.634 g/cm3
Flash Point: 190.304 °C
Enthalpy of Vaporization: 64.061 kJ/mol
Boiling Point: 391.056 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Product Categories: Thiophene;Fused Ring Systems
Canonical SMILES: C1=CSC2=C1C(=O)NC=N2
InChI: InChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
InChIKey: JEDVKUHCDPPWNR-UHFFFAOYSA-N
Safety Profile
Safty information about Thieno[2,3-d]pyrimidin-4(3H)-one (CAS NO.14080-50-3) is:
Hazard Codes: 
Xi
Specification
Thieno[2,3-d]pyrimidin-4(3H)-one , its cas register number is 14080-50-3. It also can be called 1H-Thieno[2,3-d]pyrimidin-4-one ; 3H-Thieno[2,3-d]pyrimidin-4-one ;4-Hydroxythieno[2,3-d]pyrimidine ; Thieno[2,3-d]pyrimidin-4-ol .