4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene

C24H20Cl2S — CID 138599441

IUPAC4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene
SMILESClc1cccc2c1C=C(C1CC1)C2SC1C(C2CC2)=Cc2c(Cl)cccc21
InChIInChI=1S/C24H20Cl2S/c25-21-5-1-3-15-19(21)11-17(13-7-8-13)23(15)27-24-16-4-2-6-22(26)20(16)12-18(24)14-9-10-14/h1-6,11-14,23-24H,7-10H2
InChIKeySPTGJYDAYSOWOD-UHFFFAOYSA-N
MW411.40 g/mol
LogP8.12
Rot. Bonds4

About 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene

4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene (PubChem CID 138599441) has the molecular formula C24H20Cl2S and a molecular weight of 411.40 g/mol. Its IUPAC name is 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene.

Molecular Properties

Compound Name4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene
PubChem CID138599441
Molecular FormulaC24H20Cl2S
Molecular Weight411.40 g/mol
Exact Mass410.07
IUPAC Name4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene
SMILESClc1cccc2c1C=C(C1CC1)C2SC1C(C2CC2)=Cc2c(Cl)cccc21
InChIInChI=1S/C24H20Cl2S/c25-21-5-1-3-15-19(21)11-17(13-7-8-13)23(15)27-24-16-4-2-6-22(26)20(16)12-18(24)14-9-10-14/h1-6,11-14,23-24H,7-10H2
InChIKeySPTGJYDAYSOWOD-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.40
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene?
The IUPAC name of 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene (CID 138599441) is 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene.
What is the SMILES notation for 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene?
The canonical SMILES for 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene is Clc1cccc2c1C=C(C1CC1)C2SC1C(C2CC2)=Cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene?
The InChIKey is SPTGJYDAYSOWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2S/c25-21-5-1-3-15-19(21)11-17(13-7-8-13)23(15)27-24-16-4-2-6-22(26)20(16)12-18(24)14-9-10-14/h1-6,11-14,23-24H,7-10H2.
What are the key properties of 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene?
4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene has a molecular weight of 411.40 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chloro-2-cyclopropyl-1H-inden-1-yl)sulfanyl]-2-cyclopropyl-1H-indene is sourced from PubChem (CID 138599441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).