7-amino-1H-quinazoline-2,4-dithione

C8H7N3S2 — CID 139069553

IUPAC7-amino-1H-quinazoline-2,4-dithione
SMILESNc1ccc2c(=S)[nH]c(=S)[nH]c2c1
InChIInChI=1S/C8H7N3S2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,9H2,(H2,10,11,12,13)
InChIKeyQGTHGLPDLRPVHJ-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.54
Rot. Bonds

About 7-amino-1H-quinazoline-2,4-dithione

7-amino-1H-quinazoline-2,4-dithione (PubChem CID 139069553) has the molecular formula C8H7N3S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 7-amino-1H-quinazoline-2,4-dithione.

Molecular Properties

Compound Name7-amino-1H-quinazoline-2,4-dithione
PubChem CID139069553
Molecular FormulaC8H7N3S2
Molecular Weight209.30 g/mol
Exact Mass209.01
IUPAC Name7-amino-1H-quinazoline-2,4-dithione
SMILESNc1ccc2c(=S)[nH]c(=S)[nH]c2c1
InChIInChI=1S/C8H7N3S2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,9H2,(H2,10,11,12,13)
InChIKeyQGTHGLPDLRPVHJ-UHFFFAOYSA-N
XLogP2.54
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1H-quinazoline-2,4-dithione?
The IUPAC name of 7-amino-1H-quinazoline-2,4-dithione (CID 139069553) is 7-amino-1H-quinazoline-2,4-dithione.
What is the SMILES notation for 7-amino-1H-quinazoline-2,4-dithione?
The canonical SMILES for 7-amino-1H-quinazoline-2,4-dithione is Nc1ccc2c(=S)[nH]c(=S)[nH]c2c1.
What is the InChIKey of 7-amino-1H-quinazoline-2,4-dithione?
The InChIKey is QGTHGLPDLRPVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,9H2,(H2,10,11,12,13).
What are the key properties of 7-amino-1H-quinazoline-2,4-dithione?
7-amino-1H-quinazoline-2,4-dithione has a molecular weight of 209.30 g/mol, XLogP of 2.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1H-quinazoline-2,4-dithione is sourced from PubChem (CID 139069553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).