ethane;thiophene;toluene

C15H24S — CID 142047942

IUPACethane;thiophene;toluene
SMILESCC.CC.Cc1ccccc1.c1ccsc1
InChIInChI=1S/C7H8.C4H4S.2C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;2*1-2/h2-6H,1H3;1-4H;2*1-2H3
InChIKeyBJUFAKLWQDKYLK-UHFFFAOYSA-N
MW236.42 g/mol
LogP5.80
Rot. Bonds

About ethane;thiophene;toluene

ethane;thiophene;toluene (PubChem CID 142047942) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is ethane;thiophene;toluene.

Molecular Properties

Compound Nameethane;thiophene;toluene
PubChem CID142047942
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Nameethane;thiophene;toluene
SMILESCC.CC.Cc1ccccc1.c1ccsc1
InChIInChI=1S/C7H8.C4H4S.2C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;2*1-2/h2-6H,1H3;1-4H;2*1-2H3
InChIKeyBJUFAKLWQDKYLK-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;thiophene;toluene?
The IUPAC name of ethane;thiophene;toluene (CID 142047942) is ethane;thiophene;toluene.
What is the SMILES notation for ethane;thiophene;toluene?
The canonical SMILES for ethane;thiophene;toluene is CC.CC.Cc1ccccc1.c1ccsc1.
What is the InChIKey of ethane;thiophene;toluene?
The InChIKey is BJUFAKLWQDKYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H4S.2C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;2*1-2/h2-6H,1H3;1-4H;2*1-2H3.
What are the key properties of ethane;thiophene;toluene?
ethane;thiophene;toluene has a molecular weight of 236.42 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;thiophene;toluene is sourced from PubChem (CID 142047942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).