10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene

C13H18S2 — CID 15782386

IUPAC10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
SMILESCc1ccc2c(C)c1CSCCCSC2
InChIInChI=1S/C13H18S2/c1-10-4-5-12-8-14-6-3-7-15-9-13(10)11(12)2/h4-5H,3,6-9H2,1-2H3
InChIKeyORSSNUCMOCSNHZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.17
Rot. Bonds

About 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene

10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene (PubChem CID 15782386) has the molecular formula C13H18S2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene.

Molecular Properties

Compound Name10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
PubChem CID15782386
Molecular FormulaC13H18S2
Molecular Weight238.42 g/mol
Exact Mass238.08
IUPAC Name10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
SMILESCc1ccc2c(C)c1CSCCCSC2
InChIInChI=1S/C13H18S2/c1-10-4-5-12-8-14-6-3-7-15-9-13(10)11(12)2/h4-5H,3,6-9H2,1-2H3
InChIKeyORSSNUCMOCSNHZ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
The IUPAC name of 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene (CID 15782386) is 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene.
What is the SMILES notation for 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
The canonical SMILES for 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene is Cc1ccc2c(C)c1CSCCCSC2.
What is the InChIKey of 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
The InChIKey is ORSSNUCMOCSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S2/c1-10-4-5-12-8-14-6-3-7-15-9-13(10)11(12)2/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene?
10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene has a molecular weight of 238.42 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene is sourced from PubChem (CID 15782386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).