6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene

C8H14S2 — CID 130381759

IUPAC6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene
SMILESCC1(C)CSC2CCSC21
InChIInChI=1S/C8H14S2/c1-8(2)5-10-6-3-4-9-7(6)8/h6-7H,3-5H2,1-2H3
InChIKeyLMYIJVRKROYZMP-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.63
Rot. Bonds

About 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene

6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene (PubChem CID 130381759) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene.

Molecular Properties

Compound Name6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene
PubChem CID130381759
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene
SMILESCC1(C)CSC2CCSC21
InChIInChI=1S/C8H14S2/c1-8(2)5-10-6-3-4-9-7(6)8/h6-7H,3-5H2,1-2H3
InChIKeyLMYIJVRKROYZMP-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130381747
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4,10-dithiatricyclo[7.3.0.03,7]dodecane
CID 155621641
ethane;3,3,4-trimethylthiane
CID 144627072
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
3-methylthiolane-2-thiol
CID 131969015
3,3-dimethylthiepan-4-amine
CID 142226260
8,11,11-trimethyl-3-oxa-6-thiatricyclo[6.2.1.02,7]undecane
CID 20583895
(2R)-2,3-dimethylthiolane
CID 170182644
2,2-dimethyl-1,4-oxathian-3-ol
CID 58183622
2-butylthietane
CID 102085907
N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine
CID 102672503

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene?
The IUPAC name of 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene (CID 130381759) is 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene.
What is the SMILES notation for 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene?
The canonical SMILES for 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene is CC1(C)CSC2CCSC21.
What is the InChIKey of 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene?
The InChIKey is LMYIJVRKROYZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-8(2)5-10-6-3-4-9-7(6)8/h6-7H,3-5H2,1-2H3.
What are the key properties of 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene?
6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene has a molecular weight of 174.33 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene is sourced from PubChem (CID 130381759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).