1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene

C14H14S2 — CID 71281372

IUPAC1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene
SMILESCSc1cccc(-c2ccccc2SC)c1
InChIInChI=1S/C14H14S2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-10H,1-2H3
InChIKeyLSYOCEXKQGQNIU-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.80
Rot. Bonds3

About 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene

1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene (PubChem CID 71281372) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene
PubChem CID71281372
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene
SMILESCSc1cccc(-c2ccccc2SC)c1
InChIInChI=1S/C14H14S2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-10H,1-2H3
InChIKeyLSYOCEXKQGQNIU-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene?
The IUPAC name of 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene (CID 71281372) is 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene.
What is the SMILES notation for 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene?
The canonical SMILES for 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene is CSc1cccc(-c2ccccc2SC)c1.
What is the InChIKey of 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene?
The InChIKey is LSYOCEXKQGQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-10H,1-2H3.
What are the key properties of 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene?
1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene has a molecular weight of 246.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene is sourced from PubChem (CID 71281372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).