[(E)-2-phenylselanylethenyl]sulfanylbenzene

C14H12SSe — CID 13334237

IUPAC[(E)-2-phenylselanylethenyl]sulfanylbenzene
SMILESC(=C/[Se]c1ccccc1)\Sc1ccccc1
InChIInChI=1S/C14H12SSe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKeyWNPJNZGPFQGBRQ-VAWYXSNFSA-N
MW291.28 g/mol
LogP3.28
Rot. Bonds4

About [(E)-2-phenylselanylethenyl]sulfanylbenzene

[(E)-2-phenylselanylethenyl]sulfanylbenzene (PubChem CID 13334237) has the molecular formula C14H12SSe and a molecular weight of 291.28 g/mol. Its IUPAC name is [(E)-2-phenylselanylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-2-phenylselanylethenyl]sulfanylbenzene
PubChem CID13334237
Molecular FormulaC14H12SSe
Molecular Weight291.28 g/mol
Exact Mass291.98
IUPAC Name[(E)-2-phenylselanylethenyl]sulfanylbenzene
SMILESC(=C/[Se]c1ccccc1)\Sc1ccccc1
InChIInChI=1S/C14H12SSe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKeyWNPJNZGPFQGBRQ-VAWYXSNFSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-ethylsulfanylethenyl]selanylbenzene
CID 10776609
[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968
3,3,3-trifluoroprop-1-enylsulfanylbenzene
CID 73014289
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
[(1E,3E)-4-bromobuta-1,3-dienyl]sulfanylbenzene
CID 11791331
(E)-3-phenylselanylprop-2-en-1-ol
CID 12609551
3-phenylselanylprop-2-en-1-amine
CID 71375037
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
azane;(E)-3-phenylsulfanylprop-2-enoic acid
CID 131666969
[(1E,3Z)-hexa-1,3,5-trienyl]sulfanylbenzene
CID 163422709
phenyl N-methylmethanimidothioate
CID 143977879
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934

Frequently Asked Questions

What is the IUPAC name of [(E)-2-phenylselanylethenyl]sulfanylbenzene?
The IUPAC name of [(E)-2-phenylselanylethenyl]sulfanylbenzene (CID 13334237) is [(E)-2-phenylselanylethenyl]sulfanylbenzene.
What is the SMILES notation for [(E)-2-phenylselanylethenyl]sulfanylbenzene?
The canonical SMILES for [(E)-2-phenylselanylethenyl]sulfanylbenzene is C(=C/[Se]c1ccccc1)\Sc1ccccc1.
What is the InChIKey of [(E)-2-phenylselanylethenyl]sulfanylbenzene?
The InChIKey is WNPJNZGPFQGBRQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H12SSe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H/b12-11+.
What are the key properties of [(E)-2-phenylselanylethenyl]sulfanylbenzene?
[(E)-2-phenylselanylethenyl]sulfanylbenzene has a molecular weight of 291.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-phenylselanylethenyl]sulfanylbenzene is sourced from PubChem (CID 13334237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).