3-methyl-4-methylidene-1H-quinazoline-2-thione

C10H10N2S — CID 4962304

IUPAC3-methyl-4-methylidene-1H-quinazoline-2-thione
SMILESC=C1c2ccccc2NC(=S)N1C
InChIInChI=1S/C10H10N2S/c1-7-8-5-3-4-6-9(8)11-10(13)12(7)2/h3-6H,1H2,2H3,(H,11,13)
InChIKeyUXGZBDWDJBBECB-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.30
Rot. Bonds

About 3-methyl-4-methylidene-1H-quinazoline-2-thione

3-methyl-4-methylidene-1H-quinazoline-2-thione (PubChem CID 4962304) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-methyl-4-methylidene-1H-quinazoline-2-thione.

Molecular Properties

Compound Name3-methyl-4-methylidene-1H-quinazoline-2-thione
PubChem CID4962304
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-methyl-4-methylidene-1H-quinazoline-2-thione
SMILESC=C1c2ccccc2NC(=S)N1C
InChIInChI=1S/C10H10N2S/c1-7-8-5-3-4-6-9(8)11-10(13)12(7)2/h3-6H,1H2,2H3,(H,11,13)
InChIKeyUXGZBDWDJBBECB-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-4-methylidene-1H-quinazoline-2-thione?
The IUPAC name of 3-methyl-4-methylidene-1H-quinazoline-2-thione (CID 4962304) is 3-methyl-4-methylidene-1H-quinazoline-2-thione.
What is the SMILES notation for 3-methyl-4-methylidene-1H-quinazoline-2-thione?
The canonical SMILES for 3-methyl-4-methylidene-1H-quinazoline-2-thione is C=C1c2ccccc2NC(=S)N1C.
What is the InChIKey of 3-methyl-4-methylidene-1H-quinazoline-2-thione?
The InChIKey is UXGZBDWDJBBECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7-8-5-3-4-6-9(8)11-10(13)12(7)2/h3-6H,1H2,2H3,(H,11,13).
What are the key properties of 3-methyl-4-methylidene-1H-quinazoline-2-thione?
3-methyl-4-methylidene-1H-quinazoline-2-thione has a molecular weight of 190.27 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-1H-quinazoline-2-thione is sourced from PubChem (CID 4962304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).