6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol

C9H5F2IS2 — CID 130971957

IUPAC6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol
SMILESFC(F)c1ccc2c(I)c(S)sc2c1
InChIInChI=1S/C9H5F2IS2/c10-8(11)4-1-2-5-6(3-4)14-9(13)7(5)12/h1-3,8,13H
InChIKeyDRVYOSRHLZXUGU-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.73
Rot. Bonds1

About 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol

6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol (PubChem CID 130971957) has the molecular formula C9H5F2IS2 and a molecular weight of 342.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol
PubChem CID130971957
Molecular FormulaC9H5F2IS2
Molecular Weight342.17 g/mol
Exact Mass341.88
IUPAC Name6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol
SMILESFC(F)c1ccc2c(I)c(S)sc2c1
InChIInChI=1S/C9H5F2IS2/c10-8(11)4-1-2-5-6(3-4)14-9(13)7(5)12/h1-3,8,13H
InChIKeyDRVYOSRHLZXUGU-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.73
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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Related Compounds

6-(difluoromethyl)-3-fluoro-1-benzothiophene-2-thiol
CID 130803342
6-(difluoromethyl)-2-fluoro-1-benzothiophene-3-thiol
CID 130803340
2-(difluoromethyl)-3-iodo-1-benzothiophen-6-ol
CID 131096899
4-(difluoromethyl)-2-hydrazinylbenzenethiol
CID 118812444
4-(difluoromethyl)benzenethiol
CID 19436147
3-amino-2-sulfanyl-1-benzothiophen-6-ol
CID 131076485
1-(difluoromethyl)-3-iodobenzene
CID 46311736
2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol
CID 130985696
6-chloro-3-methoxy-1-benzothiophene-2-thiol
CID 130870490
2-bromo-3-(difluoromethyl)-1-benzothiophen-6-amine
CID 131091577
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
3-fluoro-6-iodo-1-benzothiophen-2-ol
CID 131000547

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol?
The IUPAC name of 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol (CID 130971957) is 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol is FC(F)c1ccc2c(I)c(S)sc2c1.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol?
The InChIKey is DRVYOSRHLZXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IS2/c10-8(11)4-1-2-5-6(3-4)14-9(13)7(5)12/h1-3,8,13H.
What are the key properties of 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol?
6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol has a molecular weight of 342.17 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodo-1-benzothiophene-2-thiol is sourced from PubChem (CID 130971957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).