3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole

C12H14NPS — CID 5325069

IUPAC3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole
SMILESCC(C)(C)c1nsc(-c2ccccc2)p1
InChIInChI=1S/C12H14NPS/c1-12(2,3)11-13-15-10(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyGXZKWHGFUGFQIS-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.69
Rot. Bonds1

About 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole

3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole (PubChem CID 5325069) has the molecular formula C12H14NPS and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole.

Molecular Properties

Compound Name3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole
PubChem CID5325069
Molecular FormulaC12H14NPS
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole
SMILESCC(C)(C)c1nsc(-c2ccccc2)p1
InChIInChI=1S/C12H14NPS/c1-12(2,3)11-13-15-10(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyGXZKWHGFUGFQIS-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Tert-butyl-3-phenyl-1,2,4-thiazaphosphole
CID 5325068

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole?
The IUPAC name of 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole (CID 5325069) is 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole.
What is the SMILES notation for 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole?
The canonical SMILES for 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole is CC(C)(C)c1nsc(-c2ccccc2)p1.
What is the InChIKey of 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole?
The InChIKey is GXZKWHGFUGFQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NPS/c1-12(2,3)11-13-15-10(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole?
3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole has a molecular weight of 235.29 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole is sourced from PubChem (CID 5325069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).