1-benzylsulfanyl-2-methylbenzene

C14H14S — CID 4298156

IUPAC1-benzylsulfanyl-2-methylbenzene
SMILESCc1ccccc1SCc1ccccc1
InChIInChI=1S/C14H14S/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyYKBJBHGUHLPSKP-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.29
Rot. Bonds3

About 1-benzylsulfanyl-2-methylbenzene

1-benzylsulfanyl-2-methylbenzene (PubChem CID 4298156) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-benzylsulfanyl-2-methylbenzene.

Molecular Properties

Compound Name1-benzylsulfanyl-2-methylbenzene
PubChem CID4298156
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name1-benzylsulfanyl-2-methylbenzene
SMILESCc1ccccc1SCc1ccccc1
InChIInChI=1S/C14H14S/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyYKBJBHGUHLPSKP-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-2-methylbenzene?
The IUPAC name of 1-benzylsulfanyl-2-methylbenzene (CID 4298156) is 1-benzylsulfanyl-2-methylbenzene.
What is the SMILES notation for 1-benzylsulfanyl-2-methylbenzene?
The canonical SMILES for 1-benzylsulfanyl-2-methylbenzene is Cc1ccccc1SCc1ccccc1.
What is the InChIKey of 1-benzylsulfanyl-2-methylbenzene?
The InChIKey is YKBJBHGUHLPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 1-benzylsulfanyl-2-methylbenzene?
1-benzylsulfanyl-2-methylbenzene has a molecular weight of 214.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-2-methylbenzene is sourced from PubChem (CID 4298156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).