ethane;5-methylthieno[3,2-b]thiophene

C9H12S2 — CID 91311898

IUPACethane;5-methylthieno[3,2-b]thiophene
SMILESCC.Cc1cc2sccc2s1
InChIInChI=1S/C7H6S2.C2H6/c1-5-4-7-6(9-5)2-3-8-7;1-2/h2-4H,1H3;1-2H3
InChIKeyCTZGTPYJBWYNIB-UHFFFAOYSA-N
MW184.33 g/mol
LogP4.30
Rot. Bonds

About ethane;5-methylthieno[3,2-b]thiophene

ethane;5-methylthieno[3,2-b]thiophene (PubChem CID 91311898) has the molecular formula C9H12S2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;5-methylthieno[3,2-b]thiophene.

Molecular Properties

Compound Nameethane;5-methylthieno[3,2-b]thiophene
PubChem CID91311898
Molecular FormulaC9H12S2
Molecular Weight184.33 g/mol
Exact Mass184.04
IUPAC Nameethane;5-methylthieno[3,2-b]thiophene
SMILESCC.Cc1cc2sccc2s1
InChIInChI=1S/C7H6S2.C2H6/c1-5-4-7-6(9-5)2-3-8-7;1-2/h2-4H,1H3;1-2H3
InChIKeyCTZGTPYJBWYNIB-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylthieno[3,2-b]thiophene?
The IUPAC name of ethane;5-methylthieno[3,2-b]thiophene (CID 91311898) is ethane;5-methylthieno[3,2-b]thiophene.
What is the SMILES notation for ethane;5-methylthieno[3,2-b]thiophene?
The canonical SMILES for ethane;5-methylthieno[3,2-b]thiophene is CC.Cc1cc2sccc2s1.
What is the InChIKey of ethane;5-methylthieno[3,2-b]thiophene?
The InChIKey is CTZGTPYJBWYNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6S2.C2H6/c1-5-4-7-6(9-5)2-3-8-7;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;5-methylthieno[3,2-b]thiophene?
ethane;5-methylthieno[3,2-b]thiophene has a molecular weight of 184.33 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylthieno[3,2-b]thiophene is sourced from PubChem (CID 91311898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).