1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

C11H14S4 — CID 73209756

IUPAC1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESCC12SC3SC4SC(C)(S1)C1C4CC3C12
InChIInChI=1S/C11H14S4/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3
InChIKeyLCLLEGMCGPNTET-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.93
Rot. Bonds

About 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (PubChem CID 73209756) has the molecular formula C11H14S4 and a molecular weight of 274.50 g/mol. Its IUPAC name is 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.

Molecular Properties

Compound Name1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
PubChem CID73209756
Molecular FormulaC11H14S4
Molecular Weight274.50 g/mol
Exact Mass274.00
IUPAC Name1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESCC12SC3SC4SC(C)(S1)C1C4CC3C12
InChIInChI=1S/C11H14S4/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3
InChIKeyLCLLEGMCGPNTET-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3S,4S,6R,7R,9S,11S)-1,11-dimethyl-12-oxa-8,10,13-trithiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 11097258
(1S,2R,3S,4R,6S,7S,9R,11R)-1,11-dimethyl-12-oxa-8,10,13-trithiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15973165
(1S,5R,6R,7S,8S,12R,13R,14S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7,13,14-tetrol
CID 10709798
(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 11469877
(1S,2R,3S,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15976081
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
CID 163021174
1,11-dimethyl-10,12,13-trioxa-8-azapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 102119219
2,4,8-trithiatricyclo[5.1.0.03,5]octane
CID 22931464
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
CID 160997300
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
1,5-ditert-butyl-2,2,4,4-tetramethyl-6,7-dithiabicyclo[3.1.1]heptane
CID 15307557

Frequently Asked Questions

What is the IUPAC name of 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The IUPAC name of 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (CID 73209756) is 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.
What is the SMILES notation for 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The canonical SMILES for 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is CC12SC3SC4SC(C)(S1)C1C4CC3C12.
What is the InChIKey of 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The InChIKey is LCLLEGMCGPNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S4/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3.
What are the key properties of 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane has a molecular weight of 274.50 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethyl-8,10,12,13-tetrathiapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is sourced from PubChem (CID 73209756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).