3,4,5-tribromobenzene-1,2-dithiol

C6H3Br3S2 — CID 22238714

IUPAC3,4,5-tribromobenzene-1,2-dithiol
SMILESSc1cc(Br)c(Br)c(Br)c1S
InChIInChI=1S/C6H3Br3S2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
InChIKeyMBTDKTRAPFVPLW-UHFFFAOYSA-N
MW378.94 g/mol
LogP4.55
Rot. Bonds

About 3,4,5-tribromobenzene-1,2-dithiol

3,4,5-tribromobenzene-1,2-dithiol (PubChem CID 22238714) has the molecular formula C6H3Br3S2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 3,4,5-tribromobenzene-1,2-dithiol.

Molecular Properties

Compound Name3,4,5-tribromobenzene-1,2-dithiol
PubChem CID22238714
Molecular FormulaC6H3Br3S2
Molecular Weight378.94 g/mol
Exact Mass375.72
IUPAC Name3,4,5-tribromobenzene-1,2-dithiol
SMILESSc1cc(Br)c(Br)c(Br)c1S
InChIInChI=1S/C6H3Br3S2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
InChIKeyMBTDKTRAPFVPLW-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromobenzene-1,4-dithiol
CID 68995334
3,5-dibromo-2,4-difluorobenzenethiol
CID 121228022
4,7-dibromo-1-benzothiophene-5-thiol
CID 130926470
5-bromo-2,4-dichlorobenzenethiol
CID 171004591
2,4,6-tribromo-3-methylbenzenethiol
CID 151888094
2-bromo-4,5-dimethylbenzenethiol
CID 50999475
1,2,3-tribromo-4,5-dichlorobenzene
CID 643343
5-bromo-2,4-dimethoxybenzenethiol
CID 50989231
2-bromo-3-chloro-5-iodobenzenethiol
CID 162785409
4-bromo-2,5-dichlorobenzenethiol
CID 171004418
1,2,3,6,7,8-hexabromo-9H-carbazole
CID 71370431
4-bromo-2,5-dimethylbenzenethiol
CID 54039702

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tribromobenzene-1,2-dithiol?
The IUPAC name of 3,4,5-tribromobenzene-1,2-dithiol (CID 22238714) is 3,4,5-tribromobenzene-1,2-dithiol.
What is the SMILES notation for 3,4,5-tribromobenzene-1,2-dithiol?
The canonical SMILES for 3,4,5-tribromobenzene-1,2-dithiol is Sc1cc(Br)c(Br)c(Br)c1S.
What is the InChIKey of 3,4,5-tribromobenzene-1,2-dithiol?
The InChIKey is MBTDKTRAPFVPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3S2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H.
What are the key properties of 3,4,5-tribromobenzene-1,2-dithiol?
3,4,5-tribromobenzene-1,2-dithiol has a molecular weight of 378.94 g/mol, XLogP of 4.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tribromobenzene-1,2-dithiol is sourced from PubChem (CID 22238714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).