3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium

C17H18PS3+ — CID 84820674

IUPAC3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium
SMILESCC(C)=CC[P+](c1ccsc1)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H18PS3/c1-14(2)5-8-18(15-6-10-19-12-15,16-7-11-20-13-16)17-4-3-9-21-17/h3-7,9-13H,8H2,1-2H3/q+1
InChIKeyCDWYVBDUWVXQOM-UHFFFAOYSA-N
MW349.51 g/mol
LogP5.13
Rot. Bonds5

About 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium

3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium (PubChem CID 84820674) has the molecular formula C17H18PS3+ and a molecular weight of 349.51 g/mol. Its IUPAC name is 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium.

Molecular Properties

Compound Name3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium
PubChem CID84820674
Molecular FormulaC17H18PS3+
Molecular Weight349.51 g/mol
Exact Mass349.03
IUPAC Name3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium
SMILESCC(C)=CC[P+](c1ccsc1)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H18PS3/c1-14(2)5-8-18(15-6-10-19-12-15,16-7-11-20-13-16)17-4-3-9-21-17/h3-7,9-13H,8H2,1-2H3/q+1
InChIKeyCDWYVBDUWVXQOM-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.51
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-thiophen-2-ylbut-2-en-1-ol
CID 79190233
6-methyl-1-phenyl-3-thiophen-2-ylhept-5-en-1-one
CID 134966696
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
ethane;2-methylthiophene;3-methylthiophene
CID 142916163
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
CID 54396811
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 106434757
(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 119104226
[(Z)-2-hydroxy-2-phenylethenyl]-diphenyl-thiophen-2-ylphosphanium
CID 51031111
chloro(trithiophen-2-yl)phosphanium
CID 102332443

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium?
The IUPAC name of 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium (CID 84820674) is 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium.
What is the SMILES notation for 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium?
The canonical SMILES for 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium is CC(C)=CC[P+](c1ccsc1)(c1ccsc1)c1cccs1.
What is the InChIKey of 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium?
The InChIKey is CDWYVBDUWVXQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18PS3/c1-14(2)5-8-18(15-6-10-19-12-15,16-7-11-20-13-16)17-4-3-9-21-17/h3-7,9-13H,8H2,1-2H3/q+1.
What are the key properties of 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium?
3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium has a molecular weight of 349.51 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl-thiophen-2-yl-di(thiophen-3-yl)phosphanium is sourced from PubChem (CID 84820674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).