4,10-dithiatricyclo[7.3.0.03,7]dodecane

C10H16S2 — CID 155621641

IUPAC4,10-dithiatricyclo[7.3.0.03,7]dodecane
SMILESC1CC2CC3SCCC3CC2S1
InChIInChI=1S/C10H16S2/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9/h7-10H,1-6H2
InChIKeySKPFUTDLPGMBTF-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.02
Rot. Bonds

About 4,10-dithiatricyclo[7.3.0.03,7]dodecane

4,10-dithiatricyclo[7.3.0.03,7]dodecane (PubChem CID 155621641) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 4,10-dithiatricyclo[7.3.0.03,7]dodecane.

Molecular Properties

Compound Name4,10-dithiatricyclo[7.3.0.03,7]dodecane
PubChem CID155621641
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name4,10-dithiatricyclo[7.3.0.03,7]dodecane
SMILESC1CC2CC3SCCC3CC2S1
InChIInChI=1S/C10H16S2/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9/h7-10H,1-6H2
InChIKeySKPFUTDLPGMBTF-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-thiatricyclo[5.2.1.03,8]decane;4-thiatricyclo[5.3.0.03,9]decane
CID 158615103
5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene
CID 130381747
3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]thiepine-7-carbaldehyde
CID 89317789
N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine
CID 141394628
(3aR,6S)-N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydrothieno[3,2-c]pyridine-6-carboxamide
CID 59116061
2-cycloheptylthiolane
CID 173272603
bis(2-cycloheptylthiepane);hydrate
CID 70353044
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]thiopyran-6-yl-(4-bromophenyl)methanone
CID 71155154
(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
CID 101020983
3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
CID 118210349
6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene
CID 130381759
2,4-ditert-butylthiane
CID 158872945

Frequently Asked Questions

What is the IUPAC name of 4,10-dithiatricyclo[7.3.0.03,7]dodecane?
The IUPAC name of 4,10-dithiatricyclo[7.3.0.03,7]dodecane (CID 155621641) is 4,10-dithiatricyclo[7.3.0.03,7]dodecane.
What is the SMILES notation for 4,10-dithiatricyclo[7.3.0.03,7]dodecane?
The canonical SMILES for 4,10-dithiatricyclo[7.3.0.03,7]dodecane is C1CC2CC3SCCC3CC2S1.
What is the InChIKey of 4,10-dithiatricyclo[7.3.0.03,7]dodecane?
The InChIKey is SKPFUTDLPGMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9/h7-10H,1-6H2.
What are the key properties of 4,10-dithiatricyclo[7.3.0.03,7]dodecane?
4,10-dithiatricyclo[7.3.0.03,7]dodecane has a molecular weight of 200.37 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dithiatricyclo[7.3.0.03,7]dodecane is sourced from PubChem (CID 155621641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).