[(E)-prop-1-enyl]sulfanylbenzene

C9H10S — CID 5373102

IUPAC[(E)-prop-1-enyl]sulfanylbenzene
SMILESC/C=C/Sc1ccccc1
InChIInChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-8H,1H3/b8-2+
InChIKeyQAKDINZUNLASCF-KRXBUXKQSA-N
MW150.25 g/mol
LogP3.31
Rot. Bonds2

About [(E)-prop-1-enyl]sulfanylbenzene

[(E)-prop-1-enyl]sulfanylbenzene (PubChem CID 5373102) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is [(E)-prop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-prop-1-enyl]sulfanylbenzene
PubChem CID5373102
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name[(E)-prop-1-enyl]sulfanylbenzene
SMILESC/C=C/Sc1ccccc1
InChIInChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-8H,1H3/b8-2+
InChIKeyQAKDINZUNLASCF-KRXBUXKQSA-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

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Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-prop-1-enyl]sulfanylbenzene (CID 5373102) is [(E)-prop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-prop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-prop-1-enyl]sulfanylbenzene is C/C=C/Sc1ccccc1.
What is the InChIKey of [(E)-prop-1-enyl]sulfanylbenzene?
The InChIKey is QAKDINZUNLASCF-KRXBUXKQSA-N. The full InChI is InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-8H,1H3/b8-2+.
What are the key properties of [(E)-prop-1-enyl]sulfanylbenzene?
[(E)-prop-1-enyl]sulfanylbenzene 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 [(E)-prop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 5373102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).