3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene

C16H24S2 — CID 176857673

IUPAC3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
SMILESCCc1c(C(C)C)sc2c(CC)c(C(C)C)sc12
InChIInChI=1S/C16H24S2/c1-7-11-13(9(3)4)17-16-12(8-2)14(10(5)6)18-15(11)16/h9-10H,7-8H2,1-6H3
InChIKeyRPZGXVYNRQYBNA-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.33
Rot. Bonds4

About 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene

3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene (PubChem CID 176857673) has the molecular formula C16H24S2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
PubChem CID176857673
Molecular FormulaC16H24S2
Molecular Weight280.50 g/mol
Exact Mass280.13
IUPAC Name3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
SMILESCCc1c(C(C)C)sc2c(CC)c(C(C)C)sc12
InChIInChI=1S/C16H24S2/c1-7-11-13(9(3)4)17-16-12(8-2)14(10(5)6)18-15(11)16/h9-10H,7-8H2,1-6H3
InChIKeyRPZGXVYNRQYBNA-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-triethyl-5-propan-2-ylthiophene
CID 137413356
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155737642
3,4-diethyl-5-propan-2-yl-1,2-thiazole
CID 167407500
7-ethyl-8,18,19-tri(propan-2-yl)-3,6,10,16,20,23-hexathia-13-azaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-13-amine
CID 155065280
3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
CID 166458956
7-ethyl-8-methyl-18,19-di(propan-2-yl)-3,6,20,23-tetrathia-10,13,16-triazaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaene-10,13,16-triamine
CID 155065279
4-ethyl-5-propan-2-yl-1,3-thiazole-2-carbaldehyde
CID 105440773
2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
CID 163467504
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2,3,4,5,6,7-hexaethyl-1-benzothiophene
CID 71188448

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene?
The IUPAC name of 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene (CID 176857673) is 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene is CCc1c(C(C)C)sc2c(CC)c(C(C)C)sc12.
What is the InChIKey of 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene?
The InChIKey is RPZGXVYNRQYBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24S2/c1-7-11-13(9(3)4)17-16-12(8-2)14(10(5)6)18-15(11)16/h9-10H,7-8H2,1-6H3.
What are the key properties of 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene?
3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene has a molecular weight of 280.50 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene is sourced from PubChem (CID 176857673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).