1,3-thiazol-4-ylphosphane

C3H4NPS — CID 23047202

IUPAC1,3-thiazol-4-ylphosphane
SMILESPc1cscn1
InChIInChI=1S/C3H4NPS/c5-3-1-6-2-4-3/h1-2H,5H2
InChIKeyXZPSPGLIICVNRJ-UHFFFAOYSA-N
MW117.11 g/mol
LogP0.64
Rot. Bonds

About 1,3-thiazol-4-ylphosphane

1,3-thiazol-4-ylphosphane (PubChem CID 23047202) has the molecular formula C3H4NPS and a molecular weight of 117.11 g/mol. Its IUPAC name is 1,3-thiazol-4-ylphosphane.

Molecular Properties

Compound Name1,3-thiazol-4-ylphosphane
PubChem CID23047202
Molecular FormulaC3H4NPS
Molecular Weight117.11 g/mol
Exact Mass116.98
IUPAC Name1,3-thiazol-4-ylphosphane
SMILESPc1cscn1
InChIInChI=1S/C3H4NPS/c5-3-1-6-2-4-3/h1-2H,5H2
InChIKeyXZPSPGLIICVNRJ-UHFFFAOYSA-N
XLogP0.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-1,3-thiazole
CID 67067033
4-(2,6-dideuteriophenyl)-1,3-thiazole
CID 101141064
4-(fluoromethyl)-1,3-thiazole
CID 76551954
1,3-thiazol-4-ylmethanediol
CID 59870088
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001
1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 161233548
4-ethynyl-1,3-thiazole;methane
CID 158779504
4-methyl-2-(1,3-thiazol-4-yl)-1,3-thiazole
CID 91325706
2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 114771755
2,6-dibromo-4-(1,3-thiazol-4-yl)phenol
CID 91164577
3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline
CID 18788468
4-(1H-pyrrol-3-yl)-1,3-thiazole
CID 118537050

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylphosphane?
The IUPAC name of 1,3-thiazol-4-ylphosphane (CID 23047202) is 1,3-thiazol-4-ylphosphane.
What is the SMILES notation for 1,3-thiazol-4-ylphosphane?
The canonical SMILES for 1,3-thiazol-4-ylphosphane is Pc1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylphosphane?
The InChIKey is XZPSPGLIICVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NPS/c5-3-1-6-2-4-3/h1-2H,5H2.
What are the key properties of 1,3-thiazol-4-ylphosphane?
1,3-thiazol-4-ylphosphane has a molecular weight of 117.11 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylphosphane is sourced from PubChem (CID 23047202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).