2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione

C10H14NPS — CID 88893377

IUPAC2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione
SMILESCC(C)(NP)C(=S)c1ccccc1
InChIInChI=1S/C10H14NPS/c1-10(2,11-12)9(13)8-6-4-3-5-7-8/h3-7,11H,12H2,1-2H3
InChIKeyVHIAFUDROSVGHE-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione

2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione (PubChem CID 88893377) has the molecular formula C10H14NPS and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione.

Molecular Properties

Compound Name2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione
PubChem CID88893377
Molecular FormulaC10H14NPS
Molecular Weight211.27 g/mol
Exact Mass211.06
IUPAC Name2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione
SMILESCC(C)(NP)C(=S)c1ccccc1
InChIInChI=1S/C10H14NPS/c1-10(2,11-12)9(13)8-6-4-3-5-7-8/h3-7,11H,12H2,1-2H3
InChIKeyVHIAFUDROSVGHE-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione?
The IUPAC name of 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione (CID 88893377) is 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione.
What is the SMILES notation for 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione?
The canonical SMILES for 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione is CC(C)(NP)C(=S)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione?
The InChIKey is VHIAFUDROSVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NPS/c1-10(2,11-12)9(13)8-6-4-3-5-7-8/h3-7,11H,12H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione?
2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione has a molecular weight of 211.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-2-(phosphanylamino)propane-1-thione is sourced from PubChem (CID 88893377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).