2,7-di(propan-2-yl)-1-benzothiophene

C14H18S — CID 176624114

IUPAC2,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1cc2cccc(C(C)C)c2s1
InChIInChI=1S/C14H18S/c1-9(2)12-7-5-6-11-8-13(10(3)4)15-14(11)12/h5-10H,1-4H3
InChIKeyJWQCXYXEVBUTFU-UHFFFAOYSA-N
MW218.36 g/mol
LogP5.15
Rot. Bonds2

About 2,7-di(propan-2-yl)-1-benzothiophene

2,7-di(propan-2-yl)-1-benzothiophene (PubChem CID 176624114) has the molecular formula C14H18S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1-benzothiophene
PubChem CID176624114
Molecular FormulaC14H18S
Molecular Weight218.36 g/mol
Exact Mass218.11
IUPAC Name2,7-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1cc2cccc(C(C)C)c2s1
InChIInChI=1S/C14H18S/c1-9(2)12-7-5-6-11-8-13(10(3)4)15-14(11)12/h5-10H,1-4H3
InChIKeyJWQCXYXEVBUTFU-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis(2-propan-2-yl-1-benzothiophen-7-yl)-1,2,4,5-tetrazine
CID 153468237
2,7-di(propan-2-yl)thieno[2,3-c]pyridine
CID 176624248
1-(7-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268595
4,9,14-tri(propan-2-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 90225313
1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196817
ethane;7-propan-2-yl-1,3-benzothiazol-2-amine
CID 167552566
2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole
CID 70937672
N,N-di(phenanthren-9-yl)-6-propan-2-yldibenzothiophen-4-amine
CID 129118397
4-propan-2-yl-1-benzothiophen-2-amine
CID 163391702
7-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 82372668
2-propan-2-ylthieno[3,2-f][1]benzothiole
CID 138612702
6-ethyl-1-propan-2-ylnaphthalene
CID 123206196

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1-benzothiophene?
The IUPAC name of 2,7-di(propan-2-yl)-1-benzothiophene (CID 176624114) is 2,7-di(propan-2-yl)-1-benzothiophene.
What is the SMILES notation for 2,7-di(propan-2-yl)-1-benzothiophene?
The canonical SMILES for 2,7-di(propan-2-yl)-1-benzothiophene is CC(C)c1cc2cccc(C(C)C)c2s1.
What is the InChIKey of 2,7-di(propan-2-yl)-1-benzothiophene?
The InChIKey is JWQCXYXEVBUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-9(2)12-7-5-6-11-8-13(10(3)4)15-14(11)12/h5-10H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1-benzothiophene?
2,7-di(propan-2-yl)-1-benzothiophene has a molecular weight of 218.36 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 176624114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).