5-chloro-4-iodothiophene-2-thiol

C4H2ClIS2 — CID 146393116

IUPAC5-chloro-4-iodothiophene-2-thiol
SMILESSc1cc(I)c(Cl)s1
InChIInChI=1S/C4H2ClIS2/c5-4-2(6)1-3(7)8-4/h1,7H
InChIKeyPZHIRVDSVGNORR-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.29
Rot. Bonds

About 5-chloro-4-iodothiophene-2-thiol

5-chloro-4-iodothiophene-2-thiol (PubChem CID 146393116) has the molecular formula C4H2ClIS2 and a molecular weight of 276.55 g/mol. Its IUPAC name is 5-chloro-4-iodothiophene-2-thiol.

Molecular Properties

Compound Name5-chloro-4-iodothiophene-2-thiol
PubChem CID146393116
Molecular FormulaC4H2ClIS2
Molecular Weight276.55 g/mol
Exact Mass275.83
IUPAC Name5-chloro-4-iodothiophene-2-thiol
SMILESSc1cc(I)c(Cl)s1
InChIInChI=1S/C4H2ClIS2/c5-4-2(6)1-3(7)8-4/h1,7H
InChIKeyPZHIRVDSVGNORR-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodothiophene-2-thiol?
The IUPAC name of 5-chloro-4-iodothiophene-2-thiol (CID 146393116) is 5-chloro-4-iodothiophene-2-thiol.
What is the SMILES notation for 5-chloro-4-iodothiophene-2-thiol?
The canonical SMILES for 5-chloro-4-iodothiophene-2-thiol is Sc1cc(I)c(Cl)s1.
What is the InChIKey of 5-chloro-4-iodothiophene-2-thiol?
The InChIKey is PZHIRVDSVGNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClIS2/c5-4-2(6)1-3(7)8-4/h1,7H.
What are the key properties of 5-chloro-4-iodothiophene-2-thiol?
5-chloro-4-iodothiophene-2-thiol has a molecular weight of 276.55 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodothiophene-2-thiol is sourced from PubChem (CID 146393116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).