methylsulfanylmethylbenzene

C8H10S — CID 13016

IUPACmethylsulfanylmethylbenzene
SMILESCSCc1ccccc1
InChIInChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyOFQPKKGMNWASPN-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.55
Rot. Bonds2

About methylsulfanylmethylbenzene

methylsulfanylmethylbenzene (PubChem CID 13016) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is methylsulfanylmethylbenzene.

Molecular Properties

Compound Namemethylsulfanylmethylbenzene
PubChem CID13016
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Namemethylsulfanylmethylbenzene
SMILESCSCc1ccccc1
InChIInChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyOFQPKKGMNWASPN-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylbenzene?
The IUPAC name of methylsulfanylmethylbenzene (CID 13016) is methylsulfanylmethylbenzene.
What is the SMILES notation for methylsulfanylmethylbenzene?
The canonical SMILES for methylsulfanylmethylbenzene is CSCc1ccccc1.
What is the InChIKey of methylsulfanylmethylbenzene?
The InChIKey is OFQPKKGMNWASPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methylsulfanylmethylbenzene?
methylsulfanylmethylbenzene has a molecular weight of 138.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylbenzene is sourced from PubChem (CID 13016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).