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Also known as: Pravibismane, 175880-68-9, G3t79ndd38, Unii-g3t79ndd38, 2,2'-[ethane-1,2-diylbis(sulfanediyl)]bis(1,3,2-dithiabismolane), 2,2'-(ethane-1,2-diylbis(sulfanediyl))bis(1,3,2-dithiabismolane)

Molecular Formula

C₆H₁₂Bi₂S₆

Molecular Weight

694.5 g/mol

InChI Key

GUTNLKRPYCTIHX-UHFFFAOYSA-H

FDA UNII

G3T79NDD38

1 2D Structure

Pravibismane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(1,3,2-dithiabismolan-2-ylsulfanyl)ethylsulfanyl]-1,3,2-dithiabismolane

2.1.2 InChI

InChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6

2.1.3 InChI Key

GUTNLKRPYCTIHX-UHFFFAOYSA-H

2.1.4 Canonical SMILES

C1CS[Bi](S1)SCCS[Bi]2SCCS2

2.2 Other Identifiers

2.2.1 UNII

G3T79NDD38

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Pravibismane

2. 175880-68-9

3. G3t79ndd38

4. Unii-g3t79ndd38

5. 2,2'-[ethane-1,2-diylbis(sulfanediyl)]bis(1,3,2-dithiabismolane)

6. 2,2'-(ethane-1,2-diylbis(sulfanediyl))bis(1,3,2-dithiabismolane)

7. Pravibismane [inn]

8. Q27278698

9. 1,3,2-dithiabismolane, 2,2'-(1,2-ethanediylbis(thio))bis

10. 2,2'-(1,2-ethanediylbis(thio))bis(1,3,2-dithiabismolane)

11. 2-[2-(1,3,2-dithiabismolan-2-ylsulfanyl)ethylsulfanyl]-1,3,2-dithiabismolane

12. 1042282-36-9

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂Bi₂S₆
Molecular Weight	694.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	693.88712 g/mol
Monoisotopic Mass	693.88712 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1