[(Z)-hept-2-en-2-yl]sulfanylbenzene

C13H18S — CID 101384616

IUPAC[(Z)-hept-2-en-2-yl]sulfanylbenzene
SMILESCCCC/C=C(/C)Sc1ccccc1
InChIInChI=1S/C13H18S/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13/h5,7-11H,3-4,6H2,1-2H3/b12-9-
InChIKeyKKGOAUHKSXBRTC-XFXZXTDPSA-N
MW206.35 g/mol
LogP4.87
Rot. Bonds5

About [(Z)-hept-2-en-2-yl]sulfanylbenzene

[(Z)-hept-2-en-2-yl]sulfanylbenzene (PubChem CID 101384616) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is [(Z)-hept-2-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-hept-2-en-2-yl]sulfanylbenzene
PubChem CID101384616
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name[(Z)-hept-2-en-2-yl]sulfanylbenzene
SMILESCCCC/C=C(/C)Sc1ccccc1
InChIInChI=1S/C13H18S/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13/h5,7-11H,3-4,6H2,1-2H3/b12-9-
InChIKeyKKGOAUHKSXBRTC-XFXZXTDPSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
[(Z)-1-nitrohex-1-enyl]sulfanylbenzene
CID 14006135
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
trimethyl-[2-(3-phenylsulfanylbut-2-enyl)oct-1-enyl]silane
CID 71415265
dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
CID 102120921
tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
CID 177466862
oxido-oxo-(1-phenylhex-1-enyl)phosphanium
CID 154192671
5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
CID 71368870

Frequently Asked Questions

What is the IUPAC name of [(Z)-hept-2-en-2-yl]sulfanylbenzene?
The IUPAC name of [(Z)-hept-2-en-2-yl]sulfanylbenzene (CID 101384616) is [(Z)-hept-2-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(Z)-hept-2-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(Z)-hept-2-en-2-yl]sulfanylbenzene is CCCC/C=C(/C)Sc1ccccc1.
What is the InChIKey of [(Z)-hept-2-en-2-yl]sulfanylbenzene?
The InChIKey is KKGOAUHKSXBRTC-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H18S/c1-3-4-6-9-12(2)14-13-10-7-5-8-11-13/h5,7-11H,3-4,6H2,1-2H3/b12-9-.
What are the key properties of [(Z)-hept-2-en-2-yl]sulfanylbenzene?
[(Z)-hept-2-en-2-yl]sulfanylbenzene has a molecular weight of 206.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hept-2-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 101384616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).