2-methylsulfanyl-5-phenylthiophene;toluene

C18H18S2 — CID 175211838

IUPAC2-methylsulfanyl-5-phenylthiophene;toluene
SMILESCSc1ccc(-c2ccccc2)s1.Cc1ccccc1
InChIInChI=1S/C11H10S2.C7H8/c1-12-11-8-7-10(13-11)9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-8H,1H3;2-6H,1H3
InChIKeyISFXJEKZHXVERI-UHFFFAOYSA-N
MW298.48 g/mol
LogP6.13
Rot. Bonds2

About 2-methylsulfanyl-5-phenylthiophene;toluene

2-methylsulfanyl-5-phenylthiophene;toluene (PubChem CID 175211838) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-methylsulfanyl-5-phenylthiophene;toluene.

Molecular Properties

Compound Name2-methylsulfanyl-5-phenylthiophene;toluene
PubChem CID175211838
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name2-methylsulfanyl-5-phenylthiophene;toluene
SMILESCSc1ccc(-c2ccccc2)s1.Cc1ccccc1
InChIInChI=1S/C11H10S2.C7H8/c1-12-11-8-7-10(13-11)9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-8H,1H3;2-6H,1H3
InChIKeyISFXJEKZHXVERI-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-phenylthiophene;toluene?
The IUPAC name of 2-methylsulfanyl-5-phenylthiophene;toluene (CID 175211838) is 2-methylsulfanyl-5-phenylthiophene;toluene.
What is the SMILES notation for 2-methylsulfanyl-5-phenylthiophene;toluene?
The canonical SMILES for 2-methylsulfanyl-5-phenylthiophene;toluene is CSc1ccc(-c2ccccc2)s1.Cc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-5-phenylthiophene;toluene?
The InChIKey is ISFXJEKZHXVERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S2.C7H8/c1-12-11-8-7-10(13-11)9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-8H,1H3;2-6H,1H3.
What are the key properties of 2-methylsulfanyl-5-phenylthiophene;toluene?
2-methylsulfanyl-5-phenylthiophene;toluene has a molecular weight of 298.48 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-phenylthiophene;toluene is sourced from PubChem (CID 175211838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).