6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole

C24H30S — CID 170107737

IUPAC6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole
SMILESCC(C)(C)Cc1ccc2sc3cc4c(cc3c2c1)C(C)(C)CC4(C)C
InChIInChI=1S/C24H30S/c1-22(2,3)13-15-8-9-20-16(10-15)17-11-18-19(12-21(17)25-20)24(6,7)14-23(18,4)5/h8-12H,13-14H2,1-7H3
InChIKeyDNSNJBKVJLTIHD-UHFFFAOYSA-N
MW350.57 g/mol
LogP7.60
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole

6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole (PubChem CID 170107737) has the molecular formula C24H30S and a molecular weight of 350.57 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole
PubChem CID170107737
Molecular FormulaC24H30S
Molecular Weight350.57 g/mol
Exact Mass350.21
IUPAC Name6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole
SMILESCC(C)(C)Cc1ccc2sc3cc4c(cc3c2c1)C(C)(C)CC4(C)C
InChIInChI=1S/C24H30S/c1-22(2,3)13-15-8-9-20-16(10-15)17-11-18-19(12-21(17)25-20)24(6,7)14-23(18,4)5/h8-12H,13-14H2,1-7H3
InChIKeyDNSNJBKVJLTIHD-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole?
The IUPAC name of 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole (CID 170107737) is 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole is CC(C)(C)Cc1ccc2sc3cc4c(cc3c2c1)C(C)(C)CC4(C)C.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole?
The InChIKey is DNSNJBKVJLTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30S/c1-22(2,3)13-15-8-9-20-16(10-15)17-11-18-19(12-21(17)25-20)24(6,7)14-23(18,4)5/h8-12H,13-14H2,1-7H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole?
6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole has a molecular weight of 350.57 g/mol, XLogP of 7.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiole is sourced from PubChem (CID 170107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).