2-(chloromethyl)thiophene;triphenylphosphane

C23H20ClPS — CID 87275882

IUPAC2-(chloromethyl)thiophene;triphenylphosphane
SMILESClCc1cccs1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5ClS/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4-5-2-1-3-7-5/h1-15H;1-3H,4H2
InChIKeyNIQGHURUECNVIL-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.93
Rot. Bonds4

About 2-(chloromethyl)thiophene;triphenylphosphane

2-(chloromethyl)thiophene;triphenylphosphane (PubChem CID 87275882) has the molecular formula C23H20ClPS and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-(chloromethyl)thiophene;triphenylphosphane.

Molecular Properties

Compound Name2-(chloromethyl)thiophene;triphenylphosphane
PubChem CID87275882
Molecular FormulaC23H20ClPS
Molecular Weight394.91 g/mol
Exact Mass394.07
IUPAC Name2-(chloromethyl)thiophene;triphenylphosphane
SMILESClCc1cccs1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5ClS/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4-5-2-1-3-7-5/h1-15H;1-3H,4H2
InChIKeyNIQGHURUECNVIL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174941235
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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)thiophene;triphenylphosphane?
The IUPAC name of 2-(chloromethyl)thiophene;triphenylphosphane (CID 87275882) is 2-(chloromethyl)thiophene;triphenylphosphane.
What is the SMILES notation for 2-(chloromethyl)thiophene;triphenylphosphane?
The canonical SMILES for 2-(chloromethyl)thiophene;triphenylphosphane is ClCc1cccs1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(chloromethyl)thiophene;triphenylphosphane?
The InChIKey is NIQGHURUECNVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C5H5ClS/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4-5-2-1-3-7-5/h1-15H;1-3H,4H2.
What are the key properties of 2-(chloromethyl)thiophene;triphenylphosphane?
2-(chloromethyl)thiophene;triphenylphosphane has a molecular weight of 394.91 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)thiophene;triphenylphosphane is sourced from PubChem (CID 87275882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).