methylidene(xanthen-9-ylidene)-λ4-sulfane

C14H10OS — CID 101030051

IUPACmethylidene(xanthen-9-ylidene)-λ4-sulfane
SMILESC=S=c1c2ccccc2oc2ccccc12
InChIInChI=1S/C14H10OS/c1-16-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H2
InChIKeyGZWYFNAXYSWKJE-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.28
Rot. Bonds

About methylidene(xanthen-9-ylidene)-λ4-sulfane

methylidene(xanthen-9-ylidene)-λ4-sulfane (PubChem CID 101030051) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is methylidene(xanthen-9-ylidene)-λ4-sulfane.

Molecular Properties

Compound Namemethylidene(xanthen-9-ylidene)-λ4-sulfane
PubChem CID101030051
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Namemethylidene(xanthen-9-ylidene)-λ4-sulfane
SMILESC=S=c1c2ccccc2oc2ccccc12
InChIInChI=1S/C14H10OS/c1-16-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H2
InChIKeyGZWYFNAXYSWKJE-UHFFFAOYSA-N
XLogP4.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methylidene(xanthen-9-ylidene)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
2-deuteriodibenzofuran
CID 90735776
dibenzofuran;ethanol
CID 174821059
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;1,3-oxazole
CID 157355196
9-bromo-9-methylcyclohepta[b][1]benzofuran
CID 178110244
propane;xanthen-9-one
CID 90876458
CID 88536732
CID 88536732
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066

Frequently Asked Questions

What is the IUPAC name of methylidene(xanthen-9-ylidene)-λ4-sulfane?
The IUPAC name of methylidene(xanthen-9-ylidene)-λ4-sulfane (CID 101030051) is methylidene(xanthen-9-ylidene)-λ4-sulfane.
What is the SMILES notation for methylidene(xanthen-9-ylidene)-λ4-sulfane?
The canonical SMILES for methylidene(xanthen-9-ylidene)-λ4-sulfane is C=S=c1c2ccccc2oc2ccccc12.
What is the InChIKey of methylidene(xanthen-9-ylidene)-λ4-sulfane?
The InChIKey is GZWYFNAXYSWKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c1-16-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H2.
What are the key properties of methylidene(xanthen-9-ylidene)-λ4-sulfane?
methylidene(xanthen-9-ylidene)-λ4-sulfane has a molecular weight of 226.30 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(xanthen-9-ylidene)-λ4-sulfane is sourced from PubChem (CID 101030051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).