ethane;7-methyl-1-benzothiophene

C11H14S — CID 143012583

IUPACethane;7-methyl-1-benzothiophene
SMILESCC.Cc1cccc2ccsc12
InChIInChI=1S/C9H8S.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-2/h2-6H,1H3;1-2H3
InChIKeyXLQSNCDDOCWZIP-UHFFFAOYSA-N
MW178.30 g/mol
LogP4.24
Rot. Bonds

About ethane;7-methyl-1-benzothiophene

ethane;7-methyl-1-benzothiophene (PubChem CID 143012583) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is ethane;7-methyl-1-benzothiophene.

Molecular Properties

Compound Nameethane;7-methyl-1-benzothiophene
PubChem CID143012583
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Nameethane;7-methyl-1-benzothiophene
SMILESCC.Cc1cccc2ccsc12
InChIInChI=1S/C9H8S.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-2/h2-6H,1H3;1-2H3
InChIKeyXLQSNCDDOCWZIP-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(bromomethyl)-1-benzothiophene
CID 10751761
1,8-dimethylnaphthalene;ethane
CID 91447117
4-(1-benzothiophen-7-yl)-3-methylphenol
CID 83131287
7-(5-fluoro-2-methylphenyl)-1-benzothiophene
CID 141220545
4,5-dimethylphenanthrene;ethane
CID 143983787
ethane;6-methylthieno[3,4-b]thiophene
CID 145101912
7-ethoxy-1-benzothiophene
CID 68789103
7-methyl-1-benzothiophen-5-amine
CID 90308865
7-methyl-1-benzothiophen-5-ol
CID 54126935
7-(4-bromopentan-2-yl)-1-benzothiophene
CID 81148326
4-(1-benzothiophen-7-yl)-2-chloro-5-methylpyrimidine
CID 81147667
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1-benzothiophene?
The IUPAC name of ethane;7-methyl-1-benzothiophene (CID 143012583) is ethane;7-methyl-1-benzothiophene.
What is the SMILES notation for ethane;7-methyl-1-benzothiophene?
The canonical SMILES for ethane;7-methyl-1-benzothiophene is CC.Cc1cccc2ccsc12.
What is the InChIKey of ethane;7-methyl-1-benzothiophene?
The InChIKey is XLQSNCDDOCWZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;7-methyl-1-benzothiophene?
ethane;7-methyl-1-benzothiophene has a molecular weight of 178.30 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1-benzothiophene is sourced from PubChem (CID 143012583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).