6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene

C10H14S2 — CID 140903847

IUPAC6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene
SMILESCC(C)(C)C1=CSC2C=CSC12
InChIInChI=1S/C10H14S2/c1-10(2,3)7-6-12-8-4-5-11-9(7)8/h4-6,8-9H,1-3H3
InChIKeyYCNOWKFUQAGPAZ-UHFFFAOYSA-N
MW198.36 g/mol
LogP3.66
Rot. Bonds

About 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene

6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene (PubChem CID 140903847) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene.

Molecular Properties

Compound Name6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene
PubChem CID140903847
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene
SMILESCC(C)(C)C1=CSC2C=CSC12
InChIInChI=1S/C10H14S2/c1-10(2,3)7-6-12-8-4-5-11-9(7)8/h4-6,8-9H,1-3H3
InChIKeyYCNOWKFUQAGPAZ-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene?
The IUPAC name of 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene (CID 140903847) is 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene.
What is the SMILES notation for 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene?
The canonical SMILES for 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene is CC(C)(C)C1=CSC2C=CSC12.
What is the InChIKey of 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene?
The InChIKey is YCNOWKFUQAGPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S2/c1-10(2,3)7-6-12-8-4-5-11-9(7)8/h4-6,8-9H,1-3H3.
What are the key properties of 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene?
6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene has a molecular weight of 198.36 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3a,6a-dihydrothieno[3,2-b]thiophene is sourced from PubChem (CID 140903847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).