2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene

C24H22S2 — CID 177465955

IUPAC2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(C3CC3)c(-c3c(C4CC4)sc4ccc(C)cc34)c2c1
InChIInChI=1S/C24H22S2/c1-13-3-9-19-17(11-13)21(23(25-19)15-5-6-15)22-18-12-14(2)4-10-20(18)26-24(22)16-7-8-16/h3-4,9-12,15-16H,5-8H2,1-2H3
InChIKeyMZIXHCUAXVONAT-UHFFFAOYSA-N
MW374.57 g/mol
LogP8.15
Rot. Bonds3

About 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene

2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene (PubChem CID 177465955) has the molecular formula C24H22S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene
PubChem CID177465955
Molecular FormulaC24H22S2
Molecular Weight374.57 g/mol
Exact Mass374.12
IUPAC Name2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(C3CC3)c(-c3c(C4CC4)sc4ccc(C)cc34)c2c1
InChIInChI=1S/C24H22S2/c1-13-3-9-19-17(11-13)21(23(25-19)15-5-6-15)22-18-12-14(2)4-10-20(18)26-24(22)16-7-8-16/h3-4,9-12,15-16H,5-8H2,1-2H3
InChIKeyMZIXHCUAXVONAT-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene?
The IUPAC name of 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene (CID 177465955) is 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene.
What is the SMILES notation for 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene?
The canonical SMILES for 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene is Cc1ccc2sc(C3CC3)c(-c3c(C4CC4)sc4ccc(C)cc34)c2c1.
What is the InChIKey of 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene?
The InChIKey is MZIXHCUAXVONAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22S2/c1-13-3-9-19-17(11-13)21(23(25-19)15-5-6-15)22-18-12-14(2)4-10-20(18)26-24(22)16-7-8-16/h3-4,9-12,15-16H,5-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene?
2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene has a molecular weight of 374.57 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene is sourced from PubChem (CID 177465955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).