(2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene

C12H12S2 — CID 134932283

IUPAC(2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene
SMILESC1=CC2C(=CS[C@@H]3C4C=CC(C4)[C@H]23)S1
InChIInChI=1S/C12H12S2/c1-2-8-5-7(1)11-9-3-4-13-10(9)6-14-12(8)11/h1-4,6-9,11-12H,5H2/t7?,8?,9?,11-,12-/m1/s1
InChIKeyIYDOTVDFADPKJZ-PWZSAFAFSA-N
MW220.36 g/mol
LogP3.64
Rot. Bonds

About (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene

(2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene (PubChem CID 134932283) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene.

Molecular Properties

Compound Name(2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene
PubChem CID134932283
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Name(2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene
SMILESC1=CC2C(=CS[C@@H]3C4C=CC(C4)[C@H]23)S1
InChIInChI=1S/C12H12S2/c1-2-8-5-7(1)11-9-3-4-13-10(9)6-14-12(8)11/h1-4,6-9,11-12H,5H2/t7?,8?,9?,11-,12-/m1/s1
InChIKeyIYDOTVDFADPKJZ-PWZSAFAFSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene?
The IUPAC name of (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene (CID 134932283) is (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene.
What is the SMILES notation for (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene?
The canonical SMILES for (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene is C1=CC2C(=CS[C@@H]3C4C=CC(C4)[C@H]23)S1.
What is the InChIKey of (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene?
The InChIKey is IYDOTVDFADPKJZ-PWZSAFAFSA-N. The full InChI is InChI=1S/C12H12S2/c1-2-8-5-7(1)11-9-3-4-13-10(9)6-14-12(8)11/h1-4,6-9,11-12H,5H2/t7?,8?,9?,11-,12-/m1/s1.
What are the key properties of (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene?
(2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene has a molecular weight of 220.36 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10R)-6,9-dithiatetracyclo[9.2.1.02,10.03,7]tetradeca-4,7,12-triene is sourced from PubChem (CID 134932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).