2-cyclopropyl-1H-quinazoline-4-thione

C11H10N2S — CID 977351

IUPAC2-cyclopropyl-1H-quinazoline-4-thione
SMILESS=c1nc(C2CC2)[nH]c2ccccc12
InChIInChI=1S/C11H10N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeyATFIUEQKSVGHPD-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.17
Rot. Bonds1

About 2-cyclopropyl-1H-quinazoline-4-thione

2-cyclopropyl-1H-quinazoline-4-thione (PubChem CID 977351) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-cyclopropyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-1H-quinazoline-4-thione
PubChem CID977351
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-cyclopropyl-1H-quinazoline-4-thione
SMILESS=c1nc(C2CC2)[nH]c2ccccc12
InChIInChI=1S/C11H10N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14)
InChIKeyATFIUEQKSVGHPD-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1H-quinazoline-4-thione?
The IUPAC name of 2-cyclopropyl-1H-quinazoline-4-thione (CID 977351) is 2-cyclopropyl-1H-quinazoline-4-thione.
What is the SMILES notation for 2-cyclopropyl-1H-quinazoline-4-thione?
The canonical SMILES for 2-cyclopropyl-1H-quinazoline-4-thione is S=c1nc(C2CC2)[nH]c2ccccc12.
What is the InChIKey of 2-cyclopropyl-1H-quinazoline-4-thione?
The InChIKey is ATFIUEQKSVGHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14).
What are the key properties of 2-cyclopropyl-1H-quinazoline-4-thione?
2-cyclopropyl-1H-quinazoline-4-thione has a molecular weight of 202.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1H-quinazoline-4-thione is sourced from PubChem (CID 977351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).