phosphanylcarbamothioic S-acid

CH4NOPS — CID 23496756

IUPACphosphanylcarbamothioic S-acid
SMILESO=C(S)NP
InChIInChI=1S/CH4NOPS/c3-1(5)2-4/h4H2,(H2,2,3,5)
InChIKeyKSZQAKYBKBCMBO-UHFFFAOYSA-N
MW109.09 g/mol
LogP0.42
Rot. Bonds

About phosphanylcarbamothioic S-acid

phosphanylcarbamothioic S-acid (PubChem CID 23496756) has the molecular formula CH4NOPS and a molecular weight of 109.09 g/mol. Its IUPAC name is phosphanylcarbamothioic S-acid.

Molecular Properties

Compound Namephosphanylcarbamothioic S-acid
PubChem CID23496756
Molecular FormulaCH4NOPS
Molecular Weight109.09 g/mol
Exact Mass108.98
IUPAC Namephosphanylcarbamothioic S-acid
SMILESO=C(S)NP
InChIInChI=1S/CH4NOPS/c3-1(5)2-4/h4H2,(H2,2,3,5)
InChIKeyKSZQAKYBKBCMBO-UHFFFAOYSA-N
XLogP0.42
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.09
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanylcarbamothioic S-acid?
The IUPAC name of phosphanylcarbamothioic S-acid (CID 23496756) is phosphanylcarbamothioic S-acid.
What is the SMILES notation for phosphanylcarbamothioic S-acid?
The canonical SMILES for phosphanylcarbamothioic S-acid is O=C(S)NP.
What is the InChIKey of phosphanylcarbamothioic S-acid?
The InChIKey is KSZQAKYBKBCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NOPS/c3-1(5)2-4/h4H2,(H2,2,3,5).
What are the key properties of phosphanylcarbamothioic S-acid?
phosphanylcarbamothioic S-acid has a molecular weight of 109.09 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanylcarbamothioic S-acid is sourced from PubChem (CID 23496756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).