[1]benzothiolo[2,3-d]pyrimidine

C10H6N2S — CID 23330410

IUPAC[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc2c(c1)sc1ncncc12
InChIInChI=1S/C10H6N2S/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-6H
InChIKeyVCJCJLZVNOZZLS-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.84
Rot. Bonds

About [1]benzothiolo[2,3-d]pyrimidine

[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 23330410) has the molecular formula C10H6N2S and a molecular weight of 186.24 g/mol. Its IUPAC name is [1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name[1]benzothiolo[2,3-d]pyrimidine
PubChem CID23330410
Molecular FormulaC10H6N2S
Molecular Weight186.24 g/mol
Exact Mass186.03
IUPAC Name[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc2c(c1)sc1ncncc12
InChIInChI=1S/C10H6N2S/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-6H
InChIKeyVCJCJLZVNOZZLS-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of [1]benzothiolo[2,3-d]pyrimidine (CID 23330410) is [1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for [1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for [1]benzothiolo[2,3-d]pyrimidine is c1ccc2c(c1)sc1ncncc12.
What is the InChIKey of [1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is VCJCJLZVNOZZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-6H.
What are the key properties of [1]benzothiolo[2,3-d]pyrimidine?
[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 186.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 23330410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).