13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

C14H22S — CID 134983427

IUPAC13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
SMILESCc1sc2cc1CCCCCCCCC2
InChIInChI=1S/C14H22S/c1-12-13-9-7-5-3-2-4-6-8-10-14(11-13)15-12/h11H,2-10H2,1H3
InChIKeyFLIJHGMNGCLQRM-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.89
Rot. Bonds

About 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene (PubChem CID 134983427) has the molecular formula C14H22S and a molecular weight of 222.40 g/mol. Its IUPAC name is 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene.

Molecular Properties

Compound Name13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
PubChem CID134983427
Molecular FormulaC14H22S
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
SMILESCc1sc2cc1CCCCCCCCC2
InChIInChI=1S/C14H22S/c1-12-13-9-7-5-3-2-4-6-8-10-14(11-13)15-12/h11H,2-10H2,1H3
InChIKeyFLIJHGMNGCLQRM-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
The IUPAC name of 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene (CID 134983427) is 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene.
What is the SMILES notation for 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
The canonical SMILES for 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene is Cc1sc2cc1CCCCCCCCC2.
What is the InChIKey of 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
The InChIKey is FLIJHGMNGCLQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S/c1-12-13-9-7-5-3-2-4-6-8-10-14(11-13)15-12/h11H,2-10H2,1H3.
What are the key properties of 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene has a molecular weight of 222.40 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene is sourced from PubChem (CID 134983427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).