[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane

C18H22S2Si — CID 11002051

IUPAC[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(=C/CSc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H22S2Si/c1-21(2,3)18(20-17-12-8-5-9-13-17)14-15-19-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3/b18-14+
InChIKeyIYMACSDNXZHUQI-NBVRZTHBSA-N
MW330.59 g/mol
LogP6.33
Rot. Bonds6

About [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane

[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane (PubChem CID 11002051) has the molecular formula C18H22S2Si and a molecular weight of 330.59 g/mol. Its IUPAC name is [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane
PubChem CID11002051
Molecular FormulaC18H22S2Si
Molecular Weight330.59 g/mol
Exact Mass330.09
IUPAC Name[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(=C/CSc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H22S2Si/c1-21(2,3)18(20-17-12-8-5-9-13-17)14-15-19-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3/b18-14+
InChIKeyIYMACSDNXZHUQI-NBVRZTHBSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Silane, trimethyl((phenylthio)methyl)-
CID 140295
((2-(Phenylthio)-1-cyclobuten-1-yl)thio)benzene
CID 332690
1-(Trimethylsilyl)cyclopropyl phenyl sulfide
CID 552870
2-Phenylsulfanylethenylsulfanylbenzene
CID 585579
Methyl(4-(phenylthio)phenyl)sulfane
CID 10823499
Benzene, 1,1'-thiobis[4-(methylthio)-
CID 759362
10,10-Dimethylphenothiasilin
CID 143807
1,4-Bis(phenylthio)-2-butene
CID 5373859
Benzene, (pentylthio)-
CID 573677
(Hexylsulfanyl)benzene
CID 10012875
Benzene, 1,1'-[butylidenebis(thio)]bis-
CID 10989463

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane?
The IUPAC name of [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane (CID 11002051) is [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane is C[Si](C)(C)/C(=C/CSc1ccccc1)Sc1ccccc1.
What is the InChIKey of [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane?
The InChIKey is IYMACSDNXZHUQI-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H22S2Si/c1-21(2,3)18(20-17-12-8-5-9-13-17)14-15-19-16-10-6-4-7-11-16/h4-14H,15H2,1-3H3/b18-14+.
What are the key properties of [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane?
[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane has a molecular weight of 330.59 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane is sourced from PubChem (CID 11002051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).