[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene

C11H14S — CID 134933163

IUPAC[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
SMILESCC/C(=C/SC)c1ccccc1
InChIInChI=1S/C11H14S/c1-3-10(9-12-2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9-
InChIKeyITITUBNXHJPPPV-KTKRTIGZSA-N
MW178.30 g/mol
LogP3.80
Rot. Bonds3

About [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene

[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene (PubChem CID 134933163) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
PubChem CID134933163
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
SMILESCC/C(=C/SC)c1ccccc1
InChIInChI=1S/C11H14S/c1-3-10(9-12-2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9-
InChIKeyITITUBNXHJPPPV-KTKRTIGZSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142213019
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N,N-dimethyl-2-(2-phenylbut-1-enylsulfanyl)ethanamine
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3-methylsulfanyl-2-phenylprop-2-enal
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(Z)-3-phenylpent-2-en-1-amine
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2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
CID 134526752
[dimethyl-[(E)-2-phenylbut-1-enyl]silyl]-dimethyl-trimethylsilylsilane
CID 10064652
trimethyl(2-phenylbut-1-enoxy)silane
CID 71393581
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
CID 102446167

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene?
The IUPAC name of [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene (CID 134933163) is [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene.
What is the SMILES notation for [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene?
The canonical SMILES for [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene is CC/C(=C/SC)c1ccccc1.
What is the InChIKey of [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene?
The InChIKey is ITITUBNXHJPPPV-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H14S/c1-3-10(9-12-2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9-.
What are the key properties of [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene?
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene has a molecular weight of 178.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methylsulfanylbut-1-en-2-yl]benzene is sourced from PubChem (CID 134933163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).