2-aminoethanethiol;phosphoric acid

C2H10NO4PS — CID 11286760

IUPAC2-aminoethanethiol;phosphoric acid
SMILESNCCS.O=P(O)(O)O
InChIInChI=1S/C2H7NS.H3O4P/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4)
InChIKeyPVFLVRWZVJAUAJ-UHFFFAOYSA-N
MW175.15 g/mol
LogP-1.05
Rot. Bonds1

About 2-aminoethanethiol;phosphoric acid

2-aminoethanethiol;phosphoric acid (PubChem CID 11286760) has the molecular formula C2H10NO4PS and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-aminoethanethiol;phosphoric acid.

Molecular Properties

Compound Name2-aminoethanethiol;phosphoric acid
PubChem CID11286760
Molecular FormulaC2H10NO4PS
Molecular Weight175.15 g/mol
Exact Mass175.01
IUPAC Name2-aminoethanethiol;phosphoric acid
SMILESNCCS.O=P(O)(O)O
InChIInChI=1S/C2H7NS.H3O4P/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4)
InChIKeyPVFLVRWZVJAUAJ-UHFFFAOYSA-N
XLogP-1.05
TPSA103.78 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;phosphoric acid?
The IUPAC name of 2-aminoethanethiol;phosphoric acid (CID 11286760) is 2-aminoethanethiol;phosphoric acid.
What is the SMILES notation for 2-aminoethanethiol;phosphoric acid?
The canonical SMILES for 2-aminoethanethiol;phosphoric acid is NCCS.O=P(O)(O)O.
What is the InChIKey of 2-aminoethanethiol;phosphoric acid?
The InChIKey is PVFLVRWZVJAUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.H3O4P/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4).
What are the key properties of 2-aminoethanethiol;phosphoric acid?
2-aminoethanethiol;phosphoric acid has a molecular weight of 175.15 g/mol, XLogP of -1.05, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;phosphoric acid is sourced from PubChem (CID 11286760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).