1,3-oxazol-2-yl(phosphanyl)methanethione

C4H4NOPS — CID 174587164

IUPAC1,3-oxazol-2-yl(phosphanyl)methanethione
SMILESPC(=S)c1ncco1
InChIInChI=1S/C4H4NOPS/c7-4(8)3-5-1-2-6-3/h1-2H,7H2
InChIKeyDDUCVPBVIJDGEM-UHFFFAOYSA-N
MW145.12 g/mol
LogP1.23
Rot. Bonds1

About 1,3-oxazol-2-yl(phosphanyl)methanethione

1,3-oxazol-2-yl(phosphanyl)methanethione (PubChem CID 174587164) has the molecular formula C4H4NOPS and a molecular weight of 145.12 g/mol. Its IUPAC name is 1,3-oxazol-2-yl(phosphanyl)methanethione.

Molecular Properties

Compound Name1,3-oxazol-2-yl(phosphanyl)methanethione
PubChem CID174587164
Molecular FormulaC4H4NOPS
Molecular Weight145.12 g/mol
Exact Mass144.98
IUPAC Name1,3-oxazol-2-yl(phosphanyl)methanethione
SMILESPC(=S)c1ncco1
InChIInChI=1S/C4H4NOPS/c7-4(8)3-5-1-2-6-3/h1-2H,7H2
InChIKeyDDUCVPBVIJDGEM-UHFFFAOYSA-N
XLogP1.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,3-oxazole
CID 12547675
Oxazole-2-carbonitrile
CID 19809513
2-Ethynyl-1,3-oxazole
CID 72506564
1,3-Oxazole-2-carboxaldehyde
CID 14786609
2-Ethyl-1,3-oxazole
CID 14947250
2-(Bromomethyl)-1,3-oxazole
CID 18957373
2-(Trifluoromethyl)-1,3-oxazole
CID 54319088
2-(Bromomethyl)-1,3-oxazole hydrobromide
CID 135353377
2-(Difluoromethyl)-1,3-oxazole
CID 142510645
1,3-Oxazol-2-ylmethanethiol
CID 57127006
Oxazol-2-ylmethanamine
CID 18947655
2-(Fluoromethyl)-1,3-oxazole
CID 23196676

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl(phosphanyl)methanethione?
The IUPAC name of 1,3-oxazol-2-yl(phosphanyl)methanethione (CID 174587164) is 1,3-oxazol-2-yl(phosphanyl)methanethione.
What is the SMILES notation for 1,3-oxazol-2-yl(phosphanyl)methanethione?
The canonical SMILES for 1,3-oxazol-2-yl(phosphanyl)methanethione is PC(=S)c1ncco1.
What is the InChIKey of 1,3-oxazol-2-yl(phosphanyl)methanethione?
The InChIKey is DDUCVPBVIJDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NOPS/c7-4(8)3-5-1-2-6-3/h1-2H,7H2.
What are the key properties of 1,3-oxazol-2-yl(phosphanyl)methanethione?
1,3-oxazol-2-yl(phosphanyl)methanethione has a molecular weight of 145.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl(phosphanyl)methanethione is sourced from PubChem (CID 174587164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).