1-phenylethenylsulfanylbenzene

C14H12S — CID 3594215

IUPAC1-phenylethenylsulfanylbenzene
SMILESC=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12S/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyUKRUNIUJAMCKER-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.45
Rot. Bonds3

About 1-phenylethenylsulfanylbenzene

1-phenylethenylsulfanylbenzene (PubChem CID 3594215) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-phenylethenylsulfanylbenzene.

Molecular Properties

Compound Name1-phenylethenylsulfanylbenzene
PubChem CID3594215
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name1-phenylethenylsulfanylbenzene
SMILESC=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12S/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyUKRUNIUJAMCKER-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

S-(1-phenylethenyl)thiohydroxylamine
CID 152889911
S-phenyl 2-methylidene-3-phenylbut-3-enethioate
CID 10801726
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
(3-bromo-3,3-difluoroprop-1-en-2-yl)sulfanylbenzene
CID 10730369
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073
2-methyl-3-phenylsulfanylbut-3-en-2-ol
CID 12923800
1-S,4-S-diphenyl benzene-1,4-dicarbothioate
CID 15851968
[(3E)-4-chlorobuta-1,3-dien-2-yl]sulfanylbenzene
CID 13124322
2-(1-phenylethenylsulfanyl)prop-2-enal
CID 170789721
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenylsulfanylbenzene?
The IUPAC name of 1-phenylethenylsulfanylbenzene (CID 3594215) is 1-phenylethenylsulfanylbenzene.
What is the SMILES notation for 1-phenylethenylsulfanylbenzene?
The canonical SMILES for 1-phenylethenylsulfanylbenzene is C=C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethenylsulfanylbenzene?
The InChIKey is UKRUNIUJAMCKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-11H,1H2.
What are the key properties of 1-phenylethenylsulfanylbenzene?
1-phenylethenylsulfanylbenzene has a molecular weight of 212.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenylsulfanylbenzene is sourced from PubChem (CID 3594215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).