8-propan-2-ylnaphtho[1,2-b][1]benzothiole

C19H16S — CID 158779749

IUPAC8-propan-2-ylnaphtho[1,2-b][1]benzothiole
SMILESCC(C)c1ccc2sc3c4ccccc4ccc3c2c1
InChIInChI=1S/C19H16S/c1-12(2)14-8-10-18-17(11-14)16-9-7-13-5-3-4-6-15(13)19(16)20-18/h3-12H,1-2H3
InChIKeySTPXMXJSGBLHFK-UHFFFAOYSA-N
MW276.40 g/mol
LogP6.33
Rot. Bonds1

About 8-propan-2-ylnaphtho[1,2-b][1]benzothiole

8-propan-2-ylnaphtho[1,2-b][1]benzothiole (PubChem CID 158779749) has the molecular formula C19H16S and a molecular weight of 276.40 g/mol. Its IUPAC name is 8-propan-2-ylnaphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name8-propan-2-ylnaphtho[1,2-b][1]benzothiole
PubChem CID158779749
Molecular FormulaC19H16S
Molecular Weight276.40 g/mol
Exact Mass276.10
IUPAC Name8-propan-2-ylnaphtho[1,2-b][1]benzothiole
SMILESCC(C)c1ccc2sc3c4ccccc4ccc3c2c1
InChIInChI=1S/C19H16S/c1-12(2)14-8-10-18-17(11-14)16-9-7-13-5-3-4-6-15(13)19(16)20-18/h3-12H,1-2H3
InChIKeySTPXMXJSGBLHFK-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-ylchrysene
CID 54288405
9-propan-2-ylnaphtho[2,1-b][1]benzothiole
CID 71126581
8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
2-[3-(7-propan-2-ylphenanthren-2-yl)phenyl]benzo[g][1]benzothiole
CID 88900017
8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole
CID 166918289
10-methyl-2-propan-2-ylphenanthrene
CID 613068
9-tert-butylnaphtho[1,2-b][1]benzothiole
CID 161246304
cerium;2-propan-2-ylthioxanthen-9-one
CID 174919316
8-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122427185
4,11-dinaphthalen-2-yl-25-thiahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene
CID 89057674
2-[7-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)naphthalen-2-yl]-8-(10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 134420416
8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122415670

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylnaphtho[1,2-b][1]benzothiole?
The IUPAC name of 8-propan-2-ylnaphtho[1,2-b][1]benzothiole (CID 158779749) is 8-propan-2-ylnaphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 8-propan-2-ylnaphtho[1,2-b][1]benzothiole?
The canonical SMILES for 8-propan-2-ylnaphtho[1,2-b][1]benzothiole is CC(C)c1ccc2sc3c4ccccc4ccc3c2c1.
What is the InChIKey of 8-propan-2-ylnaphtho[1,2-b][1]benzothiole?
The InChIKey is STPXMXJSGBLHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S/c1-12(2)14-8-10-18-17(11-14)16-9-7-13-5-3-4-6-15(13)19(16)20-18/h3-12H,1-2H3.
What are the key properties of 8-propan-2-ylnaphtho[1,2-b][1]benzothiole?
8-propan-2-ylnaphtho[1,2-b][1]benzothiole has a molecular weight of 276.40 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylnaphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 158779749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).