(3-methylthiophen-2-yl)-diphenylphosphane

C17H15PS — CID 69057267

IUPAC(3-methylthiophen-2-yl)-diphenylphosphane
SMILESCc1ccsc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15PS/c1-14-12-13-19-17(14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyPXXBYFIZLMOJMC-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.81
Rot. Bonds3

About (3-methylthiophen-2-yl)-diphenylphosphane

(3-methylthiophen-2-yl)-diphenylphosphane (PubChem CID 69057267) has the molecular formula C17H15PS and a molecular weight of 282.35 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-diphenylphosphane
PubChem CID69057267
Molecular FormulaC17H15PS
Molecular Weight282.35 g/mol
Exact Mass282.06
IUPAC Name(3-methylthiophen-2-yl)-diphenylphosphane
SMILESCc1ccsc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15PS/c1-14-12-13-19-17(14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyPXXBYFIZLMOJMC-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane;triphenylphosphane
CID 91400469
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
(2-methylphenyl)-phenyl-thiophen-2-ylphosphane;rhodium
CID 158043276
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
trichlororhodium;triphenylphosphane;1,2-xylene
CID 174728734
silane;triphenylphosphane
CID 161037280
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
nickel;tetrakis(triphenylphosphane)
CID 161328494

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-diphenylphosphane?
The IUPAC name of (3-methylthiophen-2-yl)-diphenylphosphane (CID 69057267) is (3-methylthiophen-2-yl)-diphenylphosphane.
What is the SMILES notation for (3-methylthiophen-2-yl)-diphenylphosphane?
The canonical SMILES for (3-methylthiophen-2-yl)-diphenylphosphane is Cc1ccsc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-methylthiophen-2-yl)-diphenylphosphane?
The InChIKey is PXXBYFIZLMOJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15PS/c1-14-12-13-19-17(14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-diphenylphosphane?
(3-methylthiophen-2-yl)-diphenylphosphane has a molecular weight of 282.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-diphenylphosphane is sourced from PubChem (CID 69057267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).