1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene

C21H20S3 — CID 59861128

IUPAC1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene
SMILESc1sc(-c2sc(-c3scc4c3CCC4)c3c2CCC3)c2c1CCC2
InChIInChI=1S/C21H20S3/c1-4-12-10-22-18(14(12)6-1)20-16-8-3-9-17(16)21(24-20)19-15-7-2-5-13(15)11-23-19/h10-11H,1-9H2
InChIKeySMPXGLIPAOZMPN-UHFFFAOYSA-N
MW368.59 g/mol
LogP6.67
Rot. Bonds2

About 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene

1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene (PubChem CID 59861128) has the molecular formula C21H20S3 and a molecular weight of 368.59 g/mol. Its IUPAC name is 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene
PubChem CID59861128
Molecular FormulaC21H20S3
Molecular Weight368.59 g/mol
Exact Mass368.07
IUPAC Name1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene
SMILESc1sc(-c2sc(-c3scc4c3CCC4)c3c2CCC3)c2c1CCC2
InChIInChI=1S/C21H20S3/c1-4-12-10-22-18(14(12)6-1)20-16-8-3-9-17(16)21(24-20)19-15-7-2-5-13(15)11-23-19/h10-11H,1-9H2
InChIKeySMPXGLIPAOZMPN-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene?
The IUPAC name of 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene (CID 59861128) is 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene.
What is the SMILES notation for 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene?
The canonical SMILES for 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene is c1sc(-c2sc(-c3scc4c3CCC4)c3c2CCC3)c2c1CCC2.
What is the InChIKey of 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene?
The InChIKey is SMPXGLIPAOZMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S3/c1-4-12-10-22-18(14(12)6-1)20-16-8-3-9-17(16)21(24-20)19-15-7-2-5-13(15)11-23-19/h10-11H,1-9H2.
What are the key properties of 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene?
1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene has a molecular weight of 368.59 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene is sourced from PubChem (CID 59861128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).