phenanthrene;sulfane

C14H12S — CID 159172584

IUPACphenanthrene;sulfane
SMILESS.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.H2S/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-10H;1H2
InChIKeyFJDQTISAHMEXMI-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.11
Rot. Bonds

About phenanthrene;sulfane

phenanthrene;sulfane (PubChem CID 159172584) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is phenanthrene;sulfane.

Molecular Properties

Compound Namephenanthrene;sulfane
PubChem CID159172584
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Namephenanthrene;sulfane
SMILESS.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.H2S/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-10H;1H2
InChIKeyFJDQTISAHMEXMI-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
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Frequently Asked Questions

What is the IUPAC name of phenanthrene;sulfane?
The IUPAC name of phenanthrene;sulfane (CID 159172584) is phenanthrene;sulfane.
What is the SMILES notation for phenanthrene;sulfane?
The canonical SMILES for phenanthrene;sulfane is S.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of phenanthrene;sulfane?
The InChIKey is FJDQTISAHMEXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.H2S/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-10H;1H2.
What are the key properties of phenanthrene;sulfane?
phenanthrene;sulfane has a molecular weight of 212.32 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene;sulfane is sourced from PubChem (CID 159172584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).