[(1Z)-buta-1,3-dienyl]sulfanylbenzene

C10H10S — CID 5367968

IUPAC[(1Z)-buta-1,3-dienyl]sulfanylbenzene
SMILESC=C/C=C\Sc1ccccc1
InChIInChI=1S/C10H10S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-9H,1H2/b9-3-
InChIKeyGTABKNFMSKPTHS-OQFOIZHKSA-N
MW162.26 g/mol
LogP3.48
Rot. Bonds3

About [(1Z)-buta-1,3-dienyl]sulfanylbenzene

[(1Z)-buta-1,3-dienyl]sulfanylbenzene (PubChem CID 5367968) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is [(1Z)-buta-1,3-dienyl]sulfanylbenzene.

Molecular Properties

Compound Name[(1Z)-buta-1,3-dienyl]sulfanylbenzene
PubChem CID5367968
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name[(1Z)-buta-1,3-dienyl]sulfanylbenzene
SMILESC=C/C=C\Sc1ccccc1
InChIInChI=1S/C10H10S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-9H,1H2/b9-3-
InChIKeyGTABKNFMSKPTHS-OQFOIZHKSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3Z)-hexa-1,3,5-trienyl]sulfanylbenzene
CID 163422709
[(1E,3E)-4-bromobuta-1,3-dienyl]sulfanylbenzene
CID 11791331
CID 135081547
CID 135081547
1-[(1Z)-buta-1,3-dienyl]sulfanyl-4-nitrobenzene
CID 134934169
(2E,4E)-5-phenylsulfanylpenta-2,4-dienoic acid
CID 15721222
3,3,3-trifluoroprop-1-enylsulfanylbenzene
CID 73014289
[(E)-2-methyl-4-phenylsulfanylbut-3-en-2-yl]sulfanylbenzene
CID 11808288
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
bromozinc(1+);penta-2,4-dienylsulfanylbenzene
CID 71341795
[(E)-2-phenylselanylethenyl]sulfanylbenzene
CID 13334237
azane;(E)-3-phenylsulfanylprop-2-enoic acid
CID 131666969

Frequently Asked Questions

What is the IUPAC name of [(1Z)-buta-1,3-dienyl]sulfanylbenzene?
The IUPAC name of [(1Z)-buta-1,3-dienyl]sulfanylbenzene (CID 5367968) is [(1Z)-buta-1,3-dienyl]sulfanylbenzene.
What is the SMILES notation for [(1Z)-buta-1,3-dienyl]sulfanylbenzene?
The canonical SMILES for [(1Z)-buta-1,3-dienyl]sulfanylbenzene is C=C/C=C\Sc1ccccc1.
What is the InChIKey of [(1Z)-buta-1,3-dienyl]sulfanylbenzene?
The InChIKey is GTABKNFMSKPTHS-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H10S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-9H,1H2/b9-3-.
What are the key properties of [(1Z)-buta-1,3-dienyl]sulfanylbenzene?
[(1Z)-buta-1,3-dienyl]sulfanylbenzene has a molecular weight of 162.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-buta-1,3-dienyl]sulfanylbenzene is sourced from PubChem (CID 5367968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).