1-(phosphanylamino)ethenethiol

C2H6NPS — CID 144531445

IUPAC1-(phosphanylamino)ethenethiol
SMILESC=C(S)NP
InChIInChI=1S/C2H6NPS/c1-2(5)3-4/h3,5H,1,4H2
InChIKeySIVBITMLIQCHNY-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.77
Rot. Bonds1

About 1-(phosphanylamino)ethenethiol

1-(phosphanylamino)ethenethiol (PubChem CID 144531445) has the molecular formula C2H6NPS and a molecular weight of 107.12 g/mol. Its IUPAC name is 1-(phosphanylamino)ethenethiol.

Molecular Properties

Compound Name1-(phosphanylamino)ethenethiol
PubChem CID144531445
Molecular FormulaC2H6NPS
Molecular Weight107.12 g/mol
Exact Mass107.00
IUPAC Name1-(phosphanylamino)ethenethiol
SMILESC=C(S)NP
InChIInChI=1S/C2H6NPS/c1-2(5)3-4/h3,5H,1,4H2
InChIKeySIVBITMLIQCHNY-UHFFFAOYSA-N
XLogP0.77
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(phosphanylamino)ethenethiol?
The IUPAC name of 1-(phosphanylamino)ethenethiol (CID 144531445) is 1-(phosphanylamino)ethenethiol.
What is the SMILES notation for 1-(phosphanylamino)ethenethiol?
The canonical SMILES for 1-(phosphanylamino)ethenethiol is C=C(S)NP.
What is the InChIKey of 1-(phosphanylamino)ethenethiol?
The InChIKey is SIVBITMLIQCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NPS/c1-2(5)3-4/h3,5H,1,4H2.
What are the key properties of 1-(phosphanylamino)ethenethiol?
1-(phosphanylamino)ethenethiol has a molecular weight of 107.12 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phosphanylamino)ethenethiol is sourced from PubChem (CID 144531445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).