ethane;2-methylthieno[3,2-g][1]benzothiole

C13H14S2 — CID 145022999

IUPACethane;2-methylthieno[3,2-g][1]benzothiole
SMILESCC.Cc1cc2ccc3ccsc3c2s1
InChIInChI=1S/C11H8S2.C2H6/c1-7-6-9-3-2-8-4-5-12-10(8)11(9)13-7;1-2/h2-6H,1H3;1-2H3
InChIKeyPTAHBUWVWFNZAJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP5.45
Rot. Bonds

About ethane;2-methylthieno[3,2-g][1]benzothiole

ethane;2-methylthieno[3,2-g][1]benzothiole (PubChem CID 145022999) has the molecular formula C13H14S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;2-methylthieno[3,2-g][1]benzothiole.

Molecular Properties

Compound Nameethane;2-methylthieno[3,2-g][1]benzothiole
PubChem CID145022999
Molecular FormulaC13H14S2
Molecular Weight234.39 g/mol
Exact Mass234.05
IUPAC Nameethane;2-methylthieno[3,2-g][1]benzothiole
SMILESCC.Cc1cc2ccc3ccsc3c2s1
InChIInChI=1S/C11H8S2.C2H6/c1-7-6-9-3-2-8-4-5-12-10(8)11(9)13-7;1-2/h2-6H,1H3;1-2H3
InChIKeyPTAHBUWVWFNZAJ-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58410706
2-iodothieno[3,2-g][1]benzothiole
CID 144775471
lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate
CID 159957206
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
lithium;bis(carbon dioxide);7-isocyano-2,6-dimethyl-1-benzothiophene;7-isocyano-6-methyl-1-benzothiophene;hydroxide;hydrate
CID 158452267
lithium;bis(carbon dioxide);7-fluoro-6-methoxy-1-benzothiophene;7-fluoro-6-methoxy-2-methyl-1-benzothiophene;hydroxide;hydrate
CID 159565022
ethane;7-methyl-1-benzothiophene
CID 143012583
7-methoxy-2-methylbenzo[g][1]benzothiole
CID 5260119
[1]benzothiolo[7,6-b][1]benzothiole
CID 13164288
ethane;6-methylthieno[3,4-b]thiophene
CID 145101912
7-chloro-5-methyl-1-benzothiophene
CID 66806727
7-iodo-2-methyl-1-benzothiophene
CID 91103252

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylthieno[3,2-g][1]benzothiole?
The IUPAC name of ethane;2-methylthieno[3,2-g][1]benzothiole (CID 145022999) is ethane;2-methylthieno[3,2-g][1]benzothiole.
What is the SMILES notation for ethane;2-methylthieno[3,2-g][1]benzothiole?
The canonical SMILES for ethane;2-methylthieno[3,2-g][1]benzothiole is CC.Cc1cc2ccc3ccsc3c2s1.
What is the InChIKey of ethane;2-methylthieno[3,2-g][1]benzothiole?
The InChIKey is PTAHBUWVWFNZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S2.C2H6/c1-7-6-9-3-2-8-4-5-12-10(8)11(9)13-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;2-methylthieno[3,2-g][1]benzothiole?
ethane;2-methylthieno[3,2-g][1]benzothiole has a molecular weight of 234.39 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylthieno[3,2-g][1]benzothiole is sourced from PubChem (CID 145022999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).