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

C10H12S — CID 5463005

IUPAC[(E)-but-1-enyl]sulfanylbenzene
SMILESCC/C=C/Sc1ccccc1
InChIInChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3+
InChIKeyPXAUEKOLGHSMRX-YCRREMRBSA-N
MW164.27 g/mol
LogP3.70
Rot. Bonds3

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

[(E)-but-1-enyl]sulfanylbenzene (PubChem CID 5463005) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is [(E)-but-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-but-1-enyl]sulfanylbenzene
PubChem CID5463005
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name[(E)-but-1-enyl]sulfanylbenzene
SMILESCC/C=C/Sc1ccccc1
InChIInChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3+
InChIKeyPXAUEKOLGHSMRX-YCRREMRBSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-pent-1-enyl]sulfanylbenzene
CID 10397364
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
non-1-enylsulfanylbenzene
CID 72760837
(E)-4-phenylsulfanylbut-3-en-1-ol
CID 10821256
[(E)-4-phenylsulfanylbut-1-enyl]sulfanylbenzene
CID 15920993
(E)-1-phenylsulfanylpent-1-en-3-one
CID 14224807
3-phenylsulfanylprop-2-enyl acetate
CID 85397386
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
CID 12653805
[(E)-2-methyl-4-phenylsulfanylbut-3-en-2-yl]sulfanylbenzene
CID 11808288
phenyl N-methylmethanimidothioate
CID 143977879
1-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 11108147
[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-but-1-enyl]sulfanylbenzene (CID 5463005) is [(E)-but-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-but-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-but-1-enyl]sulfanylbenzene is CC/C=C/Sc1ccccc1.
What is the InChIKey of [(E)-but-1-enyl]sulfanylbenzene?
The InChIKey is PXAUEKOLGHSMRX-YCRREMRBSA-N. The full InChI is InChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h3-9H,2H2,1H3/b9-3+.
What are the key properties of [(E)-but-1-enyl]sulfanylbenzene?
[(E)-but-1-enyl]sulfanylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]sulfanylbenzene is sourced from PubChem (CID 5463005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).