buta-2,3-dien-2-ylsulfanylbenzene

C10H10S — CID 23270110

IUPACbuta-2,3-dien-2-ylsulfanylbenzene
SMILESC=C=C(C)Sc1ccccc1
InChIInChI=1S/C10H10S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-8H,1H2,2H3
InChIKeyZIXGMGIILFXMMF-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.47
Rot. Bonds2

About buta-2,3-dien-2-ylsulfanylbenzene

buta-2,3-dien-2-ylsulfanylbenzene (PubChem CID 23270110) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is buta-2,3-dien-2-ylsulfanylbenzene.

Molecular Properties

Compound Namebuta-2,3-dien-2-ylsulfanylbenzene
PubChem CID23270110
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Namebuta-2,3-dien-2-ylsulfanylbenzene
SMILESC=C=C(C)Sc1ccccc1
InChIInChI=1S/C10H10S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-8H,1H2,2H3
InChIKeyZIXGMGIILFXMMF-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of buta-2,3-dien-2-ylsulfanylbenzene?
The IUPAC name of buta-2,3-dien-2-ylsulfanylbenzene (CID 23270110) is buta-2,3-dien-2-ylsulfanylbenzene.
What is the SMILES notation for buta-2,3-dien-2-ylsulfanylbenzene?
The canonical SMILES for buta-2,3-dien-2-ylsulfanylbenzene is C=C=C(C)Sc1ccccc1.
What is the InChIKey of buta-2,3-dien-2-ylsulfanylbenzene?
The InChIKey is ZIXGMGIILFXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-8H,1H2,2H3.
What are the key properties of buta-2,3-dien-2-ylsulfanylbenzene?
buta-2,3-dien-2-ylsulfanylbenzene has a molecular weight of 162.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dien-2-ylsulfanylbenzene is sourced from PubChem (CID 23270110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).