4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione,3,5,6,7-tetrahydro- supplier

Name
2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-THIOL
EINECS
CAS No. 306281-11-8
Density 1.67 g/cm³
Solubility
Melting Point 251-254℃
Formula C₉H₈N₂S₂
Boiling Point 401.3 °C at 760 mmHg
Molecular Weight 208.3
Flash Point 196.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione,1,5,6,7-tetrahydro- (9CI);3,5,6,7-Tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione;2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]indene-4-thiol;5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thiol, 6,7-dihydro-;
PSA 92.82000
LogP 2.46870

4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione,3,5,6,7-tetrahydro- Specification

The 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione,3,5,6,7-tetrahydro-, with the CAS registry number 306281-11-8, is also known as 2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]indene-4-thiol. This chemical's molecular formula is C₉H₈N₂S₂ and molecular weight is 208.3. What's more, its systematic name is 3,5,6,7-Tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione.

Physical properties of 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione,3,5,6,7-tetrahydro- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 50.68; (6)ACD/BCF (pH 7.4): 48.97; (7)ACD/KOC (pH 5.5): 577.96; (8)ACD/KOC (pH 7.4): 558.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 75.93 Å²; (13)Index of Refraction: 1.893; (14)Molar Refractivity: 57.61 cm³; (15)Molar Volume: 124.4 cm³; (16)Polarizability: 22.84×10^-24cm³; (17)Surface Tension: 66.3 dyne/cm; (18)Density: 1.67 g/cm³; (19)Flash Point: 196.5 °C; (20)Enthalpy of Vaporization: 65.23 kJ/mol; (21)Boiling Point: 401.3 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1c2c3c(sc2/N=C\N1)CCC3
(2)InChI: InChI=1S/C9H8N2S2/c12-8-7-5-2-1-3-6(5)13-9(7)11-4-10-8/h4H,1-3H2,(H,10,11,12)
(3)InChIKey: UZIFVIYMKOHMQD-UHFFFAOYSA-N

Product Name

2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-THIOL

4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thione,3,5,6,7-tetrahydro- Specification

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