3,7-dithiatricyclo[3.3.3.01,5]undecane

C9H14S2 — CID 5260060

IUPAC3,7-dithiatricyclo[3.3.3.01,5]undecane
SMILESC1CC23CSCC2(C1)CSC3
InChIInChI=1S/C9H14S2/c1-2-8-4-10-6-9(8,3-1)7-11-5-8/h1-7H2
InChIKeyDNIOPPCTSKPVOD-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.64
Rot. Bonds

About 3,7-dithiatricyclo[3.3.3.01,5]undecane

3,7-dithiatricyclo[3.3.3.01,5]undecane (PubChem CID 5260060) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,7-dithiatricyclo[3.3.3.01,5]undecane.

Molecular Properties

Compound Name3,7-dithiatricyclo[3.3.3.01,5]undecane
PubChem CID5260060
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name3,7-dithiatricyclo[3.3.3.01,5]undecane
SMILESC1CC23CSCC2(C1)CSC3
InChIInChI=1S/C9H14S2/c1-2-8-4-10-6-9(8,3-1)7-11-5-8/h1-7H2
InChIKeyDNIOPPCTSKPVOD-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid
CID 83908400
(1S,3R,4S,6S)-3,4-dibromo-8-thiatricyclo[4.3.2.01,6]undecane
CID 98553681
2-thiaspiro[4.4]nonane
CID 20542465
(3R,4R,8S,9R)-3,4,8,9-tetrabromo-12-thiatricyclo[4.4.3.01,6]tridecane
CID 98163035
5-methyl-3-thiatricyclo[4.2.2.01,5]decane
CID 117071226
tricyclo[4.3.3.01,6]dodec-3-ene
CID 14114531
6,6-dimethyldispiro[4.1.47.35]tetradecane
CID 123325796
7-azadispiro[3.0.45.34]dodecane
CID 83905512
6-thia-10-azadispiro[3.0.55.34]tridecane
CID 130834939
1,1-dimethylcyclobutane;vanadium
CID 158712416
1-[(2S)-2-methylthiiran-2-yl]cyclobutane-1-thiol
CID 130382476
2-oxa-6-thiaspiro[3.4]octane
CID 118210159

Frequently Asked Questions

What is the IUPAC name of 3,7-dithiatricyclo[3.3.3.01,5]undecane?
The IUPAC name of 3,7-dithiatricyclo[3.3.3.01,5]undecane (CID 5260060) is 3,7-dithiatricyclo[3.3.3.01,5]undecane.
What is the SMILES notation for 3,7-dithiatricyclo[3.3.3.01,5]undecane?
The canonical SMILES for 3,7-dithiatricyclo[3.3.3.01,5]undecane is C1CC23CSCC2(C1)CSC3.
What is the InChIKey of 3,7-dithiatricyclo[3.3.3.01,5]undecane?
The InChIKey is DNIOPPCTSKPVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S2/c1-2-8-4-10-6-9(8,3-1)7-11-5-8/h1-7H2.
What are the key properties of 3,7-dithiatricyclo[3.3.3.01,5]undecane?
3,7-dithiatricyclo[3.3.3.01,5]undecane has a molecular weight of 186.34 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dithiatricyclo[3.3.3.01,5]undecane is sourced from PubChem (CID 5260060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).