2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine

C10H3Cl2FN2S — CID 170982379

IUPAC2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine
SMILESFc1ccc2sc3c(Cl)nc(Cl)nc3c2c1
InChIInChI=1S/C10H3Cl2FN2S/c11-9-8-7(14-10(12)15-9)5-3-4(13)1-2-6(5)16-8/h1-3H
InChIKeyBJIRJZNUMRYOCA-UHFFFAOYSA-N
MW273.12 g/mol
LogP4.29
Rot. Bonds

About 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine

2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 170982379) has the molecular formula C10H3Cl2FN2S and a molecular weight of 273.12 g/mol. Its IUPAC name is 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID170982379
Molecular FormulaC10H3Cl2FN2S
Molecular Weight273.12 g/mol
Exact Mass271.94
IUPAC Name2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine
SMILESFc1ccc2sc3c(Cl)nc(Cl)nc3c2c1
InChIInChI=1S/C10H3Cl2FN2S/c11-9-8-7(14-10(12)15-9)5-3-4(13)1-2-6(5)16-8/h1-3H
InChIKeyBJIRJZNUMRYOCA-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine (CID 170982379) is 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine is Fc1ccc2sc3c(Cl)nc(Cl)nc3c2c1.
What is the InChIKey of 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is BJIRJZNUMRYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl2FN2S/c11-9-8-7(14-10(12)15-9)5-3-4(13)1-2-6(5)16-8/h1-3H.
What are the key properties of 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine?
2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 273.12 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 170982379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).