2,3,4-tribromothiolane

C4H5Br3S — CID 44558400

IUPAC2,3,4-tribromothiolane
SMILESBrC1CSC(Br)C1Br
InChIInChI=1S/C4H5Br3S/c5-2-1-8-4(7)3(2)6/h2-4H,1H2
InChIKeyRFBZNKUBRWTNGO-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.98
Rot. Bonds

About 2,3,4-tribromothiolane

2,3,4-tribromothiolane (PubChem CID 44558400) has the molecular formula C4H5Br3S and a molecular weight of 324.86 g/mol. Its IUPAC name is 2,3,4-tribromothiolane.

Molecular Properties

Compound Name2,3,4-tribromothiolane
PubChem CID44558400
Molecular FormulaC4H5Br3S
Molecular Weight324.86 g/mol
Exact Mass321.77
IUPAC Name2,3,4-tribromothiolane
SMILESBrC1CSC(Br)C1Br
InChIInChI=1S/C4H5Br3S/c5-2-1-8-4(7)3(2)6/h2-4H,1H2
InChIKeyRFBZNKUBRWTNGO-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4-tribromothiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromothiolane
CID 14254246
3,4-Dibromotetrahydrothiophene
CID 21815976
2,3-Dibromotetrahydrothiophene
CID 21938875
2,5-Bis(bromomethyl)thiolane
CID 86249029
2-(Bromomethyl)thiolane
CID 64146839
2-Bromotetrahydrothiophene-gold
CID 85808834
(3S)-3-bromothiolane
CID 10241163
2-Bromothiolane
CID 21117092
(3S,4S)-3,4-dibromothiolane
CID 57152374
2,5-Dibromothiolane
CID 57554595
(3R,4R)-3,4-dibromothiolane
CID 70120921
1,2-Dibromo-3-(2,3-dibromopropylsulfanyl)propane
CID 87354604

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tribromothiolane?
The IUPAC name of 2,3,4-tribromothiolane (CID 44558400) is 2,3,4-tribromothiolane.
What is the SMILES notation for 2,3,4-tribromothiolane?
The canonical SMILES for 2,3,4-tribromothiolane is BrC1CSC(Br)C1Br.
What is the InChIKey of 2,3,4-tribromothiolane?
The InChIKey is RFBZNKUBRWTNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br3S/c5-2-1-8-4(7)3(2)6/h2-4H,1H2.
What are the key properties of 2,3,4-tribromothiolane?
2,3,4-tribromothiolane has a molecular weight of 324.86 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromothiolane is sourced from PubChem (CID 44558400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).