propylsulfanylbenzene

C9H12S — CID 13407

IUPACpropylsulfanylbenzene
SMILESCCCSc1ccccc1
InChIInChI=1S/C9H12S/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyNWYDLOBJQIJDGH-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.19
Rot. Bonds3

About propylsulfanylbenzene

propylsulfanylbenzene (PubChem CID 13407) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is propylsulfanylbenzene.

Molecular Properties

Compound Namepropylsulfanylbenzene
PubChem CID13407
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Namepropylsulfanylbenzene
SMILESCCCSc1ccccc1
InChIInChI=1S/C9H12S/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyNWYDLOBJQIJDGH-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioanisole
CID 7520
Diphenyl sulfide
CID 8766
Methyl phenyl disulfide
CID 84234
Fluoresone
CID 71814
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl Vinyl Sulfide
CID 74572
Phenyl vinyl sulfone
CID 79664
(Ethylthio)benzene
CID 12144
Methyl phenyl sulfoxide
CID 14516
(Ethylsulphonyl)benzene
CID 69032
2-(Phenylthio)ethanol
CID 69685

Frequently Asked Questions

What is the IUPAC name of propylsulfanylbenzene?
The IUPAC name of propylsulfanylbenzene (CID 13407) is propylsulfanylbenzene.
What is the SMILES notation for propylsulfanylbenzene?
The canonical SMILES for propylsulfanylbenzene is CCCSc1ccccc1.
What is the InChIKey of propylsulfanylbenzene?
The InChIKey is NWYDLOBJQIJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of propylsulfanylbenzene?
propylsulfanylbenzene has a molecular weight of 152.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfanylbenzene is sourced from PubChem (CID 13407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).