methylsulfanylbenzene

C7H8S — CID 7520

IUPACmethylsulfanylbenzene
SMILESCSc1ccccc1
InChIInChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHNKJADCVZUBCPG-UHFFFAOYSA-N
MW124.21 g/mol
LogP2.41
Rot. Bonds1

About methylsulfanylbenzene

methylsulfanylbenzene (PubChem CID 7520) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is methylsulfanylbenzene.

Molecular Properties

Compound Namemethylsulfanylbenzene
PubChem CID7520
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Namemethylsulfanylbenzene
SMILESCSc1ccccc1
InChIInChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHNKJADCVZUBCPG-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylbenzene?
The IUPAC name of methylsulfanylbenzene (CID 7520) is methylsulfanylbenzene.
What is the SMILES notation for methylsulfanylbenzene?
The canonical SMILES for methylsulfanylbenzene is CSc1ccccc1.
What is the InChIKey of methylsulfanylbenzene?
The InChIKey is HNKJADCVZUBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methylsulfanylbenzene?
methylsulfanylbenzene has a molecular weight of 124.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylbenzene is sourced from PubChem (CID 7520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).