ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)

C30H32S3 — CID 142901816

IUPACethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
SMILESCC.CCc1csc2ccccc12.Cc1csc2ccccc12.Cc1csc2ccccc12
InChIInChI=1S/C10H10S.2C9H8S.C2H6/c1-2-8-7-11-10-6-4-3-5-9(8)10;2*1-7-6-10-9-5-3-2-4-8(7)9;1-2/h3-7H,2H2,1H3;2*2-6H,1H3;1-2H3
InChIKeyVLASPPVGGVEQOP-UHFFFAOYSA-N
MW488.79 g/mol
LogP10.91
Rot. Bonds1

About ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)

ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene) (PubChem CID 142901816) has the molecular formula C30H32S3 and a molecular weight of 488.79 g/mol. Its IUPAC name is ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene).

Molecular Properties

Compound Nameethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
PubChem CID142901816
Molecular FormulaC30H32S3
Molecular Weight488.79 g/mol
Exact Mass488.17
IUPAC Nameethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
SMILESCC.CCc1csc2ccccc12.Cc1csc2ccccc12.Cc1csc2ccccc12
InChIInChI=1S/C10H10S.2C9H8S.C2H6/c1-2-8-7-11-10-6-4-3-5-9(8)10;2*1-7-6-10-9-5-3-2-4-8(7)9;1-2/h3-7H,2H2,1H3;2*2-6H,1H3;1-2H3
InChIKeyVLASPPVGGVEQOP-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.79
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70563074
1-(1-benzothiophen-3-yl)-3-propylhexan-2-one
CID 114965645
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CID 159615133
3-ethyl-6-methyl-1-benzothiophene
CID 142026591
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
2-(1-benzothiophen-3-ylmethyl)butanenitrile
CID 116931610
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)?
The IUPAC name of ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene) (CID 142901816) is ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene).
What is the SMILES notation for ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)?
The canonical SMILES for ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene) is CC.CCc1csc2ccccc12.Cc1csc2ccccc12.Cc1csc2ccccc12.
What is the InChIKey of ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)?
The InChIKey is VLASPPVGGVEQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S.2C9H8S.C2H6/c1-2-8-7-11-10-6-4-3-5-9(8)10;2*1-7-6-10-9-5-3-2-4-8(7)9;1-2/h3-7H,2H2,1H3;2*2-6H,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)?
ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene) has a molecular weight of 488.79 g/mol, XLogP of 10.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene) is sourced from PubChem (CID 142901816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).