ethanethiol;phosphoric acid

C4H18O8P2S2 — CID 175577772

IUPACethanethiol;phosphoric acid
SMILESCCS.CCS.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/2C2H6S.2H3O4P/c2*1-2-3;2*1-5(2,3)4/h2*3H,2H2,1H3;2*(H3,1,2,3,4)
InChIKeyFKMTYXZJIHIRNY-UHFFFAOYSA-N
MW320.26 g/mol
LogP0.01
Rot. Bonds

About ethanethiol;phosphoric acid

ethanethiol;phosphoric acid (PubChem CID 175577772) has the molecular formula C4H18O8P2S2 and a molecular weight of 320.26 g/mol. Its IUPAC name is ethanethiol;phosphoric acid.

Molecular Properties

Compound Nameethanethiol;phosphoric acid
PubChem CID175577772
Molecular FormulaC4H18O8P2S2
Molecular Weight320.26 g/mol
Exact Mass319.99
IUPAC Nameethanethiol;phosphoric acid
SMILESCCS.CCS.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/2C2H6S.2H3O4P/c2*1-2-3;2*1-5(2,3)4/h2*3H,2H2,1H3;2*(H3,1,2,3,4)
InChIKeyFKMTYXZJIHIRNY-UHFFFAOYSA-N
XLogP0.01
TPSA155.52 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 50.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;propane-1-thiol
CID 22065553
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphane;phosphoric acid
CID 175495046
butane;methane;phosphoric acid;hydrate
CID 173079168
sodium;ethanolate;phosphoric acid
CID 158540403
phosphoric acid;tris(triethylsilane)
CID 158157117
dodecane;phosphoric acid
CID 88801558
alumane;ethane;phosphoric acid
CID 173118040
methanamine;phosphoric acid
CID 173433743
1,4-bis(sulfanyl)butane-2,3-diol;phosphoric acid
CID 175430478
butane;phosphoric acid;vanadium(2+)
CID 87828686
sodium;2-aminoethanethiol;phosphoric acid
CID 23615661

Frequently Asked Questions

What is the IUPAC name of ethanethiol;phosphoric acid?
The IUPAC name of ethanethiol;phosphoric acid (CID 175577772) is ethanethiol;phosphoric acid.
What is the SMILES notation for ethanethiol;phosphoric acid?
The canonical SMILES for ethanethiol;phosphoric acid is CCS.CCS.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of ethanethiol;phosphoric acid?
The InChIKey is FKMTYXZJIHIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6S.2H3O4P/c2*1-2-3;2*1-5(2,3)4/h2*3H,2H2,1H3;2*(H3,1,2,3,4).
What are the key properties of ethanethiol;phosphoric acid?
ethanethiol;phosphoric acid has a molecular weight of 320.26 g/mol, XLogP of 0.01, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol;phosphoric acid is sourced from PubChem (CID 175577772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).