but-2-en-2-ylsulfanylbenzene

C10H12S — CID 12664948

IUPACbut-2-en-2-ylsulfanylbenzene
SMILESCC=C(C)Sc1ccccc1
InChIInChI=1S/C10H12S/c1-3-9(2)11-10-7-5-4-6-8-10/h3-8H,1-2H3
InChIKeyFSDQHJPTDQLPQJ-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.70
Rot. Bonds2

About but-2-en-2-ylsulfanylbenzene

but-2-en-2-ylsulfanylbenzene (PubChem CID 12664948) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is but-2-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Namebut-2-en-2-ylsulfanylbenzene
PubChem CID12664948
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Namebut-2-en-2-ylsulfanylbenzene
SMILESCC=C(C)Sc1ccccc1
InChIInChI=1S/C10H12S/c1-3-9(2)11-10-7-5-4-6-8-10/h3-8H,1-2H3
InChIKeyFSDQHJPTDQLPQJ-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioanisole
CID 7520
Diphenyl sulfide
CID 8766
Methyl phenyl disulfide
CID 84234
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Methyl phenyl sulfoxide
CID 14516
(Ethylsulphonyl)benzene
CID 69032
Thiocyanic acid, phenyl ester
CID 21357
(Phenylthio)acetonitrile
CID 78891
Phenyl propyl sulfide
CID 13407

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-ylsulfanylbenzene?
The IUPAC name of but-2-en-2-ylsulfanylbenzene (CID 12664948) is but-2-en-2-ylsulfanylbenzene.
What is the SMILES notation for but-2-en-2-ylsulfanylbenzene?
The canonical SMILES for but-2-en-2-ylsulfanylbenzene is CC=C(C)Sc1ccccc1.
What is the InChIKey of but-2-en-2-ylsulfanylbenzene?
The InChIKey is FSDQHJPTDQLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-3-9(2)11-10-7-5-4-6-8-10/h3-8H,1-2H3.
What are the key properties of but-2-en-2-ylsulfanylbenzene?
but-2-en-2-ylsulfanylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ylsulfanylbenzene is sourced from PubChem (CID 12664948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).