[(E)-but-2-enyl]sulfanylbenzene

C10H12S — CID 5463155

IUPAC[(E)-but-2-enyl]sulfanylbenzene
SMILESC/C=C/CSc1ccccc1
InChIInChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-8H,9H2,1H3/b3-2+
InChIKeyBNNLEMHAUPCSCL-NSCUHMNNSA-N
MW164.27 g/mol
LogP3.35
Rot. Bonds3

About [(E)-but-2-enyl]sulfanylbenzene

[(E)-but-2-enyl]sulfanylbenzene (PubChem CID 5463155) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is [(E)-but-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-but-2-enyl]sulfanylbenzene
PubChem CID5463155
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name[(E)-but-2-enyl]sulfanylbenzene
SMILESC/C=C/CSc1ccccc1
InChIInChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-8H,9H2,1H3/b3-2+
InChIKeyBNNLEMHAUPCSCL-NSCUHMNNSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 7520
CID 7520
CID 8766
CID 8766
CID 84234
CID 84234
CID 71814
CID 71814
CID 37013
CID 37013
CID 69317
CID 69317
CID 85330
CID 85330
CID 74572
CID 74572
CID 79664
CID 79664
CID 12144
CID 12144
CID 14516
CID 14516
CID 69032
CID 69032

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]sulfanylbenzene?
The IUPAC name of [(E)-but-2-enyl]sulfanylbenzene (CID 5463155) is [(E)-but-2-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-but-2-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-but-2-enyl]sulfanylbenzene is C/C=C/CSc1ccccc1.
What is the InChIKey of [(E)-but-2-enyl]sulfanylbenzene?
The InChIKey is BNNLEMHAUPCSCL-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-8H,9H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl]sulfanylbenzene?
[(E)-but-2-enyl]sulfanylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]sulfanylbenzene is sourced from PubChem (CID 5463155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).