8-(disulfanyl)quinazoline

C8H6N2S2 — CID 90111320

IUPAC8-(disulfanyl)quinazoline
SMILESSSc1cccc2cncnc12
InChIInChI=1S/C8H6N2S2/c11-12-7-3-1-2-6-4-9-5-10-8(6)7/h1-5,11H
InChIKeyPKAFSWMPZCFBBH-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.57
Rot. Bonds1

About 8-(disulfanyl)quinazoline

8-(disulfanyl)quinazoline (PubChem CID 90111320) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 8-(disulfanyl)quinazoline.

Molecular Properties

Compound Name8-(disulfanyl)quinazoline
PubChem CID90111320
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name8-(disulfanyl)quinazoline
SMILESSSc1cccc2cncnc12
InChIInChI=1S/C8H6N2S2/c11-12-7-3-1-2-6-4-9-5-10-8(6)7/h1-5,11H
InChIKeyPKAFSWMPZCFBBH-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(disulfanyl)quinazoline?
The IUPAC name of 8-(disulfanyl)quinazoline (CID 90111320) is 8-(disulfanyl)quinazoline.
What is the SMILES notation for 8-(disulfanyl)quinazoline?
The canonical SMILES for 8-(disulfanyl)quinazoline is SSc1cccc2cncnc12.
What is the InChIKey of 8-(disulfanyl)quinazoline?
The InChIKey is PKAFSWMPZCFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-12-7-3-1-2-6-4-9-5-10-8(6)7/h1-5,11H.
What are the key properties of 8-(disulfanyl)quinazoline?
8-(disulfanyl)quinazoline has a molecular weight of 194.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(disulfanyl)quinazoline is sourced from PubChem (CID 90111320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).