ethane;2-methylthiophene;3-methylthiophene

C12H18S2 — CID 142916163

IUPACethane;2-methylthiophene;3-methylthiophene
SMILESCC.Cc1cccs1.Cc1ccsc1
InChIInChI=1S/2C5H6S.C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2/h2*2-4H,1H3;1-2H3
InChIKeyYMURLINNERNGIO-UHFFFAOYSA-N
MW226.41 g/mol
LogP5.14
Rot. Bonds

About ethane;2-methylthiophene;3-methylthiophene

ethane;2-methylthiophene;3-methylthiophene (PubChem CID 142916163) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylthiophene;3-methylthiophene
PubChem CID142916163
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Nameethane;2-methylthiophene;3-methylthiophene
SMILESCC.Cc1cccs1.Cc1ccsc1
InChIInChI=1S/2C5H6S.C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2/h2*2-4H,1H3;1-2H3
InChIKeyYMURLINNERNGIO-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methylthiophene
CID 90990568
ethane;methane;3-methylthiophene
CID 143325048
2-methylthiophene
CID 143626612
2-methylthiophene;hydroiodide
CID 173425781
sodium;hydride;2-methylthiophene
CID 173118231
2-methylthiophene;toluene
CID 142082990
2,3-dimethylthiophene;ethane;3-methylthiophene
CID 144970372
2,7-dimethylthionine
CID 144983268
2-methylthionine;dihydrate
CID 118481373
2-methylthiophene;urea
CID 162125784
potassium;hydride;2-methylthiophene;tritetrafluoroborate
CID 175180205
2-chlorothiophene;2-methylthiophene
CID 67830690

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylthiophene;3-methylthiophene?
The IUPAC name of ethane;2-methylthiophene;3-methylthiophene (CID 142916163) is ethane;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for ethane;2-methylthiophene;3-methylthiophene?
The canonical SMILES for ethane;2-methylthiophene;3-methylthiophene is CC.Cc1cccs1.Cc1ccsc1.
What is the InChIKey of ethane;2-methylthiophene;3-methylthiophene?
The InChIKey is YMURLINNERNGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6S.C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2/h2*2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methylthiophene;3-methylthiophene?
ethane;2-methylthiophene;3-methylthiophene has a molecular weight of 226.41 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 142916163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).