2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane

C6H8Br4S2 — CID 10917580

IUPAC2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane
SMILESBrC(CC(Br)(Br)Br)C1SCCS1
InChIInChI=1S/C6H8Br4S2/c7-4(3-6(8,9)10)5-11-1-2-12-5/h4-5H,1-3H2
InChIKeyPPGUQCKLEFQYGT-UHFFFAOYSA-N
MW463.88 g/mol
LogP4.78
Rot. Bonds2

About 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane

2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane (PubChem CID 10917580) has the molecular formula C6H8Br4S2 and a molecular weight of 463.88 g/mol. Its IUPAC name is 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane
PubChem CID10917580
Molecular FormulaC6H8Br4S2
Molecular Weight463.88 g/mol
Exact Mass459.68
IUPAC Name2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane
SMILESBrC(CC(Br)(Br)Br)C1SCCS1
InChIInChI=1S/C6H8Br4S2/c7-4(3-6(8,9)10)5-11-1-2-12-5/h4-5H,1-3H2
InChIKeyPPGUQCKLEFQYGT-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-Bromoethyl)-1,3-dithiolane
CID 12080995
3,4-Dibromotetrahydrothiophene
CID 21815976
2,3-Dibromotetrahydrothiophene
CID 21938875
2-(2-Bromoethyl)-4-methyl-1,3-dithiolane
CID 12080998
(3S,4S)-3,4-dibromothiolane
CID 57152374
(3R,4R)-3,4-dibromothiolane
CID 70120921
4,5-Bis(bromomethyl)-1,3-dithiolane
CID 86164107
1,2-Dibromo-3-(2,3-dibromopropylsulfanyl)propane
CID 87354604
2,3,4-Tribromothiolane
CID 44558400

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane?
The IUPAC name of 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane (CID 10917580) is 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane.
What is the SMILES notation for 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane?
The canonical SMILES for 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane is BrC(CC(Br)(Br)Br)C1SCCS1.
What is the InChIKey of 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane?
The InChIKey is PPGUQCKLEFQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br4S2/c7-4(3-6(8,9)10)5-11-1-2-12-5/h4-5H,1-3H2.
What are the key properties of 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane?
2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane has a molecular weight of 463.88 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3,3-tetrabromopropyl)-1,3-dithiolane is sourced from PubChem (CID 10917580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).