1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane

C9H14S4 — CID 619444

IUPAC1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)SC(CC(C)(S1)S3)S2
InChIInChI=1S/C9H14S4/c1-7-4-6-10-8(2,12-7)5-9(3,11-6)13-7/h6H,4-5H2,1-3H3
InChIKeyTUFSZZBOTJUUPN-UHFFFAOYSA-N
MW250.48 g/mol
LogP4.21
Rot. Bonds

About 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane

1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane (PubChem CID 619444) has the molecular formula C9H14S4 and a molecular weight of 250.48 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
PubChem CID619444
Molecular FormulaC9H14S4
Molecular Weight250.48 g/mol
Exact Mass250.00
IUPAC Name1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)SC(CC(C)(S1)S3)S2
InChIInChI=1S/C9H14S4/c1-7-4-6-10-8(2,12-7)5-9(3,11-6)13-7/h6H,4-5H2,1-3H3
InChIKeyTUFSZZBOTJUUPN-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane (CID 619444) is 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane is CC12CC3(C)SC(CC(C)(S1)S3)S2.
What is the InChIKey of 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
The InChIKey is TUFSZZBOTJUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S4/c1-7-4-6-10-8(2,12-7)5-9(3,11-6)13-7/h6H,4-5H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane has a molecular weight of 250.48 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 619444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).