Basic Information | Post buying leads | Suppliers |
Name |
1,6-Thiaselenecin,2,5,7,10-tetrahydro- |
EINECS | N/A |
CAS No. | 127793-17-3 | Density | N/A |
PSA | 25.30000 | LogP | 1.28080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8SSe | Boiling Point | 334.3 °C at 760 mmHg |
Molecular Weight | 215.178 | Flash Point | 156 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,6-Thiaselenecin,3,4,8,9-tetradehydro-2,5,7,10-tetrahydro- (9CI); |
The 1,6-Thiaselenecin,2,5,7,10-tetrahydro-, with CAS registry number 127793-17-3, has the systematic name of 3,4,8,9-tetradehydro-2,5,7,10-tetrahydro-1,6-thiaselenecine. Besides this, its IUPAC name is 1-thia-6-selenacyclodeca-3,8-diyne. And the chemical formula of this chemical is C8H8SSe.
Physical properties of 1,6-Thiaselenecin,2,5,7,10-tetrahydro-: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.21; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 39.84; (8)ACD/KOC (pH 7.4): 39.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.3 Å2; (13)Flash Point: 156 °C; (14)Enthalpy of Vaporization: 55.44 kJ/mol; (15)Boiling Point: 334.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00025 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1#CCSCC#CC[Se]C1
(2)InChI: InChI=1/C8H8SSe/c1-3-7-10-8-4-2-6-9-5-1/h5-8H2
(3)InChIKey: GFFMWKZLZVLHEU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H8SSe/c1-3-7-10-8-4-2-6-9-5-1/h5-8H2
(5)Std. InChIKey: GFFMWKZLZVLHEU-UHFFFAOYSA-N