4-bromo-5-chlorothiophene-2-thiol

C4H2BrClS2 — CID 102829034

IUPAC4-bromo-5-chlorothiophene-2-thiol
SMILESSc1cc(Br)c(Cl)s1
InChIInChI=1S/C4H2BrClS2/c5-2-1-3(7)8-4(2)6/h1,7H
InChIKeySOZQJODGZVNPPW-UHFFFAOYSA-N
MW229.55 g/mol
LogP3.45
Rot. Bonds

About 4-bromo-5-chlorothiophene-2-thiol

4-bromo-5-chlorothiophene-2-thiol (PubChem CID 102829034) has the molecular formula C4H2BrClS2 and a molecular weight of 229.55 g/mol. Its IUPAC name is 4-bromo-5-chlorothiophene-2-thiol.

Molecular Properties

Compound Name4-bromo-5-chlorothiophene-2-thiol
PubChem CID102829034
Molecular FormulaC4H2BrClS2
Molecular Weight229.55 g/mol
Exact Mass227.85
IUPAC Name4-bromo-5-chlorothiophene-2-thiol
SMILESSc1cc(Br)c(Cl)s1
InChIInChI=1S/C4H2BrClS2/c5-2-1-3(7)8-4(2)6/h1,7H
InChIKeySOZQJODGZVNPPW-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-5-chlorothiophene-2-thiol 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

5-chloro-4-iodothiophene-2-thiol
CID 146393116
3-bromo-2-chloro-5-methylthiophene
CID 20732074
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
CID 102843847
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
CID 131002567
5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
CID 103439847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chlorothiophene-2-thiol?
The IUPAC name of 4-bromo-5-chlorothiophene-2-thiol (CID 102829034) is 4-bromo-5-chlorothiophene-2-thiol.
What is the SMILES notation for 4-bromo-5-chlorothiophene-2-thiol?
The canonical SMILES for 4-bromo-5-chlorothiophene-2-thiol is Sc1cc(Br)c(Cl)s1.
What is the InChIKey of 4-bromo-5-chlorothiophene-2-thiol?
The InChIKey is SOZQJODGZVNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClS2/c5-2-1-3(7)8-4(2)6/h1,7H.
What are the key properties of 4-bromo-5-chlorothiophene-2-thiol?
4-bromo-5-chlorothiophene-2-thiol has a molecular weight of 229.55 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chlorothiophene-2-thiol is sourced from PubChem (CID 102829034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).