prop-1-en-2-ylsulfanylbenzene

C9H10S — CID 11030001

IUPACprop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccccc1
InChIInChI=1S/C9H10S/c1-8(2)10-9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeyGVEWKCLFECTQLN-UHFFFAOYSA-N
MW150.25 g/mol
LogP3.31
Rot. Bonds2

About prop-1-en-2-ylsulfanylbenzene

prop-1-en-2-ylsulfanylbenzene (PubChem CID 11030001) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is prop-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Nameprop-1-en-2-ylsulfanylbenzene
PubChem CID11030001
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Nameprop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1ccccc1
InChIInChI=1S/C9H10S/c1-8(2)10-9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeyGVEWKCLFECTQLN-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze prop-1-en-2-ylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylsulfanylbenzene?
The IUPAC name of prop-1-en-2-ylsulfanylbenzene (CID 11030001) is prop-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for prop-1-en-2-ylsulfanylbenzene?
The canonical SMILES for prop-1-en-2-ylsulfanylbenzene is C=C(C)Sc1ccccc1.
What is the InChIKey of prop-1-en-2-ylsulfanylbenzene?
The InChIKey is GVEWKCLFECTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-8(2)10-9-6-4-3-5-7-9/h3-7H,1H2,2H3.
What are the key properties of prop-1-en-2-ylsulfanylbenzene?
prop-1-en-2-ylsulfanylbenzene has a molecular weight of 150.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 11030001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).