phosphoric acid;sulfanylurea

CH7N2O5PS — CID 118224142

IUPACphosphoric acid;sulfanylurea
SMILESNC(=O)NS.O=P(O)(O)O
InChIInChI=1S/CH4N2OS.H3O4P/c2-1(4)3-5;1-5(2,3)4/h5H,(H3,2,3,4);(H3,1,2,3,4)
InChIKeyKIJMJVDOIVYVSI-UHFFFAOYSA-N
MW190.12 g/mol
LogP-1.43
Rot. Bonds

About phosphoric acid;sulfanylurea

phosphoric acid;sulfanylurea (PubChem CID 118224142) has the molecular formula CH7N2O5PS and a molecular weight of 190.12 g/mol. Its IUPAC name is phosphoric acid;sulfanylurea.

Molecular Properties

Compound Namephosphoric acid;sulfanylurea
PubChem CID118224142
Molecular FormulaCH7N2O5PS
Molecular Weight190.12 g/mol
Exact Mass189.98
IUPAC Namephosphoric acid;sulfanylurea
SMILESNC(=O)NS.O=P(O)(O)O
InChIInChI=1S/CH4N2OS.H3O4P/c2-1(4)3-5;1-5(2,3)4/h5H,(H3,2,3,4);(H3,1,2,3,4)
InChIKeyKIJMJVDOIVYVSI-UHFFFAOYSA-N
XLogP-1.43
TPSA132.88 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500190.12
LogP ≤ 5-1.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131878072
CID 131878072
hydroxylamine;phosphoric acid
CID 160630292
CID 159330917
CID 159330917
(carbamoylamino) dihydrogen phosphate
CID 57166645
bis(carbamoylamino)methylphosphonic acid
CID 88731403
fluorophosphonic acid;methylurea
CID 173044631
CID 162132831
CID 162132831
azane;hydroxylamine;phosphoric acid
CID 173277328
methanamine;phosphoric acid
CID 173433743
phosphoric acid;propanamide
CID 175475634
cyanamide;phosphoric acid;urea
CID 175480992
phosphoric acid;bis(prop-2-enamide)
CID 175358091

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;sulfanylurea?
The IUPAC name of phosphoric acid;sulfanylurea (CID 118224142) is phosphoric acid;sulfanylurea.
What is the SMILES notation for phosphoric acid;sulfanylurea?
The canonical SMILES for phosphoric acid;sulfanylurea is NC(=O)NS.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;sulfanylurea?
The InChIKey is KIJMJVDOIVYVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2OS.H3O4P/c2-1(4)3-5;1-5(2,3)4/h5H,(H3,2,3,4);(H3,1,2,3,4).
What are the key properties of phosphoric acid;sulfanylurea?
phosphoric acid;sulfanylurea has a molecular weight of 190.12 g/mol, XLogP of -1.43, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;sulfanylurea is sourced from PubChem (CID 118224142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).