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127793-17-3

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Basic Information
CAS No.: 127793-17-3
Name: 1,6-Thiaselenecin,2,5,7,10-tetrahydro-
Molecular Structure:
Molecular Structure of 127793-17-3 (1,6-Thiaselenecin,2,5,7,10-tetrahydro-)
Formula: C8H8SSe
Molecular Weight: 215.1741
Synonyms: 1,6-Thiaselenecin,3,4,8,9-tetradehydro-2,5,7,10-tetrahydro- (9CI);
EINECS:
Density:
Melting Point:
Boiling Point: 334.3 °C at 760 mmHg
Flash Point: 156 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 25.30000
LogP: 1.28080
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  • 1,6-Thiaselenecin,2,5,7,10-tetrahydro-

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    127793-17-3

    1,6-Thiaselenecin,2,5,7,10-tetrahydro-

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  • 1-THIA-6-SELENACYCLODECA-3,8-DIYNE

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    127793-17-3

    1-THIA-6-SELENACYCLODECA-3,8-DIYNE

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Specification

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