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

C19H16S — CID 71126581

IUPAC9-propan-2-ylnaphtho[2,1-b][1]benzothiole
SMILESCC(C)c1ccc2c(c1)sc1ccc3ccccc3c12
InChIInChI=1S/C19H16S/c1-12(2)14-7-9-16-18(11-14)20-17-10-8-13-5-3-4-6-15(13)19(16)17/h3-12H,1-2H3
InChIKeyYRVGECWNTHKVPP-UHFFFAOYSA-N
MW276.40 g/mol
LogP6.33
Rot. Bonds1

About 9-propan-2-ylnaphtho[2,1-b][1]benzothiole

9-propan-2-ylnaphtho[2,1-b][1]benzothiole (PubChem CID 71126581) has the molecular formula C19H16S and a molecular weight of 276.40 g/mol. Its IUPAC name is 9-propan-2-ylnaphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Name9-propan-2-ylnaphtho[2,1-b][1]benzothiole
PubChem CID71126581
Molecular FormulaC19H16S
Molecular Weight276.40 g/mol
Exact Mass276.10
IUPAC Name9-propan-2-ylnaphtho[2,1-b][1]benzothiole
SMILESCC(C)c1ccc2c(c1)sc1ccc3ccccc3c12
InChIInChI=1S/C19H16S/c1-12(2)14-7-9-16-18(11-14)20-17-10-8-13-5-3-4-6-15(13)19(16)17/h3-12H,1-2H3
InChIKeyYRVGECWNTHKVPP-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

N-phenyl-N-(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 90263586
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
3-propan-2-ylchrysene
CID 54288405
10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran
CID 134517125
9-pyren-2-ylnaphtho[2,1-b][1]benzothiole
CID 139341390
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine
CID 166042775
N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170272731
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
9-[3-(4-bromophenyl)phenyl]naphtho[2,1-b][1]benzothiole
CID 118616526
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-ylnaphtho[2,1-b][1]benzothiole?
The IUPAC name of 9-propan-2-ylnaphtho[2,1-b][1]benzothiole (CID 71126581) is 9-propan-2-ylnaphtho[2,1-b][1]benzothiole.
What is the SMILES notation for 9-propan-2-ylnaphtho[2,1-b][1]benzothiole?
The canonical SMILES for 9-propan-2-ylnaphtho[2,1-b][1]benzothiole is CC(C)c1ccc2c(c1)sc1ccc3ccccc3c12.
What is the InChIKey of 9-propan-2-ylnaphtho[2,1-b][1]benzothiole?
The InChIKey is YRVGECWNTHKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S/c1-12(2)14-7-9-16-18(11-14)20-17-10-8-13-5-3-4-6-15(13)19(16)17/h3-12H,1-2H3.
What are the key properties of 9-propan-2-ylnaphtho[2,1-b][1]benzothiole?
9-propan-2-ylnaphtho[2,1-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 9-propan-2-ylnaphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 71126581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).