Thieno[2,3-d]pyrimidine-4-thiol supplier

Name
THIENO[2,3-D]PYRIMIDINE-4-THIOL
EINECS
CAS No. 14080-55-8
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₆H₄N₂S₂
Boiling Point 325.6 °C at 760 mmHg
Molecular Weight 168.243
Flash Point 150.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thieno[2,3-d]pyrimidine-4(1H)-thione(9CI);Thieno[2,3-d]pyrimidine-4-thiol (8CI);
PSA 92.82000
LogP 1.98000

Thieno[2,3-d]pyrimidine-4-thiol Specification

The Thieno[2,3-d]pyrimidine-4(3H)-thione, with the CAS registry number 14080-55-8, is also known as Thieno[2,3-d]pyrimidine-4-thiol. This chemical's molecular formula is C₆H₄N₂S₂ and molecular weight is 168.23936. Its IUPAC name is called 3H-thieno[2,3-d]pyrimidine-4-thione.

Physical properties of Thieno[2,3-d]pyrimidine-4(3H)-thione: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 7.12; (5)ACD/BCF (pH 7.4): 6.81; (6)ACD/KOC (pH 5.5): 141.85; (7)ACD/KOC (pH 7.4): 135.63; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.84; (11)Molar Refractivity: 46.33 cm³; (12)Molar Volume: 104.5 cm³; (13)Surface Tension: 62.7 dyne/cm; (14)Density: 1.6 g/cm³; (15)Flash Point: 150.7 °C; (16)Enthalpy of Vaporization: 56.77 kJ/mol; (17)Boiling Point: 325.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000228 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC2=C1C(=S)NC=N2
(2)InChI: InChI=1S/C6H4N2S2/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
(3)InChIKey: CJRCQIKVDNTHCO-UHFFFAOYSA-N

Product Name

THIENO[2,3-D]PYRIMIDINE-4-THIOL

Thieno[2,3-d]pyrimidine-4-thiol Specification

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