ethylsulfanylbenzene

C8H10S — CID 12144

IUPACethylsulfanylbenzene
SMILESCCSc1ccccc1
InChIInChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyAEHWKBXBXYNPCX-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.80
Rot. Bonds2

About ethylsulfanylbenzene

ethylsulfanylbenzene (PubChem CID 12144) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is ethylsulfanylbenzene.

Molecular Properties

Compound Nameethylsulfanylbenzene
PubChem CID12144
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Nameethylsulfanylbenzene
SMILESCCSc1ccccc1
InChIInChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyAEHWKBXBXYNPCX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylbenzene?
The IUPAC name of ethylsulfanylbenzene (CID 12144) is ethylsulfanylbenzene.
What is the SMILES notation for ethylsulfanylbenzene?
The canonical SMILES for ethylsulfanylbenzene is CCSc1ccccc1.
What is the InChIKey of ethylsulfanylbenzene?
The InChIKey is AEHWKBXBXYNPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethylsulfanylbenzene?
ethylsulfanylbenzene has a molecular weight of 138.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylbenzene is sourced from PubChem (CID 12144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).