1-(benzylsulfanylmethyl)-2-methylbenzene

C15H16S — CID 10656990

IUPAC1-(benzylsulfanylmethyl)-2-methylbenzene
SMILESCc1ccccc1CSCc1ccccc1
InChIInChI=1S/C15H16S/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyQDNWCSJKTSBDSK-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.43
Rot. Bonds4

About 1-(benzylsulfanylmethyl)-2-methylbenzene

1-(benzylsulfanylmethyl)-2-methylbenzene (PubChem CID 10656990) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(benzylsulfanylmethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(benzylsulfanylmethyl)-2-methylbenzene
PubChem CID10656990
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-(benzylsulfanylmethyl)-2-methylbenzene
SMILESCc1ccccc1CSCc1ccccc1
InChIInChI=1S/C15H16S/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyQDNWCSJKTSBDSK-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfanylmethyl)-2-methylbenzene?
The IUPAC name of 1-(benzylsulfanylmethyl)-2-methylbenzene (CID 10656990) is 1-(benzylsulfanylmethyl)-2-methylbenzene.
What is the SMILES notation for 1-(benzylsulfanylmethyl)-2-methylbenzene?
The canonical SMILES for 1-(benzylsulfanylmethyl)-2-methylbenzene is Cc1ccccc1CSCc1ccccc1.
What is the InChIKey of 1-(benzylsulfanylmethyl)-2-methylbenzene?
The InChIKey is QDNWCSJKTSBDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(benzylsulfanylmethyl)-2-methylbenzene?
1-(benzylsulfanylmethyl)-2-methylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylsulfanylmethyl)-2-methylbenzene is sourced from PubChem (CID 10656990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).