2-propan-2-ylthieno[3,2-f][1]benzothiole

C13H12S2 — CID 138612702

IUPAC2-propan-2-ylthieno[3,2-f][1]benzothiole
SMILESCC(C)c1cc2cc3ccsc3cc2s1
InChIInChI=1S/C13H12S2/c1-8(2)11-6-10-5-9-3-4-14-12(9)7-13(10)15-11/h3-8H,1-2H3
InChIKeyIDWCGLJQEOTNID-UHFFFAOYSA-N
MW232.37 g/mol
LogP5.24
Rot. Bonds1

About 2-propan-2-ylthieno[3,2-f][1]benzothiole

2-propan-2-ylthieno[3,2-f][1]benzothiole (PubChem CID 138612702) has the molecular formula C13H12S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-propan-2-ylthieno[3,2-f][1]benzothiole.

Molecular Properties

Compound Name2-propan-2-ylthieno[3,2-f][1]benzothiole
PubChem CID138612702
Molecular FormulaC13H12S2
Molecular Weight232.37 g/mol
Exact Mass232.04
IUPAC Name2-propan-2-ylthieno[3,2-f][1]benzothiole
SMILESCC(C)c1cc2cc3ccsc3cc2s1
InChIInChI=1S/C13H12S2/c1-8(2)11-6-10-5-9-3-4-14-12(9)7-13(10)15-11/h3-8H,1-2H3
InChIKeyIDWCGLJQEOTNID-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1]benzothiolo[6,5-f][1]benzothiol-7-amine
CID 129178000
2-propan-2-yl-6-(trifluoromethyl)-1-benzothiophene
CID 58431320
11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 130304665
propane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene
CID 159654553
4,8-dimethyl-N-thieno[3,2-f][1]benzothiol-2-ylthieno[2,3-f][1]benzothiol-2-amine
CID 123909276
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
CID 162107296
2-propan-2-yl-1-benzothiophene-5-carboxylic acid
CID 84685866
7-(4-decylphenyl)-[1]benzothiolo[5,6-f][1]benzothiole
CID 153456412
2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 25213369
5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl(trimethyl)silane
CID 58411078
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthieno[3,2-f][1]benzothiole?
The IUPAC name of 2-propan-2-ylthieno[3,2-f][1]benzothiole (CID 138612702) is 2-propan-2-ylthieno[3,2-f][1]benzothiole.
What is the SMILES notation for 2-propan-2-ylthieno[3,2-f][1]benzothiole?
The canonical SMILES for 2-propan-2-ylthieno[3,2-f][1]benzothiole is CC(C)c1cc2cc3ccsc3cc2s1.
What is the InChIKey of 2-propan-2-ylthieno[3,2-f][1]benzothiole?
The InChIKey is IDWCGLJQEOTNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S2/c1-8(2)11-6-10-5-9-3-4-14-12(9)7-13(10)15-11/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylthieno[3,2-f][1]benzothiole?
2-propan-2-ylthieno[3,2-f][1]benzothiole has a molecular weight of 232.37 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthieno[3,2-f][1]benzothiole is sourced from PubChem (CID 138612702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).