2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole

C18H15BrS — CID 118312983

IUPAC2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole
SMILESCc1ccc2sc3c(c2c1)C(C)(C)c1cc(Br)ccc1-3
InChIInChI=1S/C18H15BrS/c1-10-4-7-15-13(8-10)16-17(20-15)12-6-5-11(19)9-14(12)18(16,2)3/h4-9H,1-3H3
InChIKeyVNWAHGKOKWWPKE-UHFFFAOYSA-N
MW343.29 g/mol
LogP6.28
Rot. Bonds

About 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole

2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole (PubChem CID 118312983) has the molecular formula C18H15BrS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole.

Molecular Properties

Compound Name2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole
PubChem CID118312983
Molecular FormulaC18H15BrS
Molecular Weight343.29 g/mol
Exact Mass342.01
IUPAC Name2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole
SMILESCc1ccc2sc3c(c2c1)C(C)(C)c1cc(Br)ccc1-3
InChIInChI=1S/C18H15BrS/c1-10-4-7-15-13(8-10)16-17(20-15)12-6-5-11(19)9-14(12)18(16,2)3/h4-9H,1-3H3
InChIKeyVNWAHGKOKWWPKE-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.29
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162105007
1,2,3-tribromo-7,9,9-trimethylfluorene
CID 58352111
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
CID 160691046
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
7,7,9-trimethylfluoreno[2,3-b][1]benzothiole
CID 129267057
3,4,4,5,5,7-hexamethyl-2-(4-methylphenyl)benzo[g][1]benzothiole
CID 90243989
3,9,11,11-tetramethylbenzo[a]fluorene
CID 59806680
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole?
The IUPAC name of 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole (CID 118312983) is 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole.
What is the SMILES notation for 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole?
The canonical SMILES for 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole is Cc1ccc2sc3c(c2c1)C(C)(C)c1cc(Br)ccc1-3.
What is the InChIKey of 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole?
The InChIKey is VNWAHGKOKWWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrS/c1-10-4-7-15-13(8-10)16-17(20-15)12-6-5-11(19)9-14(12)18(16,2)3/h4-9H,1-3H3.
What are the key properties of 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole?
2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole has a molecular weight of 343.29 g/mol, XLogP of 6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole is sourced from PubChem (CID 118312983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).