10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene

C16H24S — CID 10753103

IUPAC10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene
SMILESC1CCCc2c(sc3c2CCCCCC3)CC1
InChIInChI=1S/C16H24S/c1-3-7-11-15-13(9-5-1)14-10-6-2-4-8-12-16(14)17-15/h1-12H2
InChIKeyIARGKVOWVVZSTD-UHFFFAOYSA-N
MW248.43 g/mol
LogP5.07
Rot. Bonds

About 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene

10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene (PubChem CID 10753103) has the molecular formula C16H24S and a molecular weight of 248.43 g/mol. Its IUPAC name is 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene.

Molecular Properties

Compound Name10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene
PubChem CID10753103
Molecular FormulaC16H24S
Molecular Weight248.43 g/mol
Exact Mass248.16
IUPAC Name10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene
SMILESC1CCCc2c(sc3c2CCCCCC3)CC1
InChIInChI=1S/C16H24S/c1-3-7-11-15-13(9-5-1)14-10-6-2-4-8-12-16(14)17-15/h1-12H2
InChIKeyIARGKVOWVVZSTD-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene?
The IUPAC name of 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene (CID 10753103) is 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene.
What is the SMILES notation for 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene?
The canonical SMILES for 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene is C1CCCc2c(sc3c2CCCCCC3)CC1.
What is the InChIKey of 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene?
The InChIKey is IARGKVOWVVZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24S/c1-3-7-11-15-13(9-5-1)14-10-6-2-4-8-12-16(14)17-15/h1-12H2.
What are the key properties of 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene?
10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene has a molecular weight of 248.43 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene is sourced from PubChem (CID 10753103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).