formaldehyde;bis(1H-quinoline-2-thione)

C19H16N2OS2 — CID 174248686

IUPACformaldehyde;bis(1H-quinoline-2-thione)
SMILESC=O.S=c1ccc2ccccc2[nH]1.S=c1ccc2ccccc2[nH]1
InChIInChI=1S/2C9H7NS.CH2O/c2*11-9-6-5-7-3-1-2-4-8(7)10-9;1-2/h2*1-6H,(H,10,11);1H2
InChIKeyWXVRQLNFSIEHJL-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.61
Rot. Bonds

About formaldehyde;bis(1H-quinoline-2-thione)

formaldehyde;bis(1H-quinoline-2-thione) (PubChem CID 174248686) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is formaldehyde;bis(1H-quinoline-2-thione).

Molecular Properties

Compound Nameformaldehyde;bis(1H-quinoline-2-thione)
PubChem CID174248686
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC Nameformaldehyde;bis(1H-quinoline-2-thione)
SMILESC=O.S=c1ccc2ccccc2[nH]1.S=c1ccc2ccccc2[nH]1
InChIInChI=1S/2C9H7NS.CH2O/c2*11-9-6-5-7-3-1-2-4-8(7)10-9;1-2/h2*1-6H,(H,10,11);1H2
InChIKeyWXVRQLNFSIEHJL-UHFFFAOYSA-N
XLogP5.61
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;1H-quinoline-2-thione
CID 158676150
neodymium;1H-quinolin-2-one
CID 175424246
CID 172719311
CID 172719311
hydrazine;1H-quinolin-2-one
CID 157180038
7-chloro-1H-quinoline-2-thione
CID 83637429
7-bromo-1H-quinoline-2-thione
CID 102537566
isocyanic acid;1H-quinolin-2-one
CID 176531100
bicyclo[4.1.0]hepta-1,3,5-triene;1H-quinolin-2-one
CID 67171100
molecular hydrogen;propane;1H-quinolin-2-one
CID 142067755
acetic acid;1H-quinolin-2-one
CID 71436806
1H-indole;oxozinc
CID 174920230
3-ethyl-1H-quinoline-2-thione
CID 1445305

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(1H-quinoline-2-thione)?
The IUPAC name of formaldehyde;bis(1H-quinoline-2-thione) (CID 174248686) is formaldehyde;bis(1H-quinoline-2-thione).
What is the SMILES notation for formaldehyde;bis(1H-quinoline-2-thione)?
The canonical SMILES for formaldehyde;bis(1H-quinoline-2-thione) is C=O.S=c1ccc2ccccc2[nH]1.S=c1ccc2ccccc2[nH]1.
What is the InChIKey of formaldehyde;bis(1H-quinoline-2-thione)?
The InChIKey is WXVRQLNFSIEHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NS.CH2O/c2*11-9-6-5-7-3-1-2-4-8(7)10-9;1-2/h2*1-6H,(H,10,11);1H2.
What are the key properties of formaldehyde;bis(1H-quinoline-2-thione)?
formaldehyde;bis(1H-quinoline-2-thione) has a molecular weight of 352.48 g/mol, XLogP of 5.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(1H-quinoline-2-thione) is sourced from PubChem (CID 174248686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).