ethanamine;ethanethiol;sulfuric acid

C4H15NO4S2 — CID 175094408

IUPACethanamine;ethanethiol;sulfuric acid
SMILESCCN.CCS.O=S(=O)(O)O
InChIInChI=1S/C2H7N.C2H6S.H2O4S/c2*1-2-3;1-5(2,3)4/h2-3H2,1H3;3H,2H2,1H3;(H2,1,2,3,4)
InChIKeyJADJFBNTSDWCTN-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.25
Rot. Bonds

About ethanamine;ethanethiol;sulfuric acid

ethanamine;ethanethiol;sulfuric acid (PubChem CID 175094408) has the molecular formula C4H15NO4S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethanamine;ethanethiol;sulfuric acid.

Molecular Properties

Compound Nameethanamine;ethanethiol;sulfuric acid
PubChem CID175094408
Molecular FormulaC4H15NO4S2
Molecular Weight205.30 g/mol
Exact Mass205.04
IUPAC Nameethanamine;ethanethiol;sulfuric acid
SMILESCCN.CCS.O=S(=O)(O)O
InChIInChI=1S/C2H7N.C2H6S.H2O4S/c2*1-2-3;1-5(2,3)4/h2-3H2,1H3;3H,2H2,1H3;(H2,1,2,3,4)
InChIKeyJADJFBNTSDWCTN-UHFFFAOYSA-N
XLogP0.25
TPSA100.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanamine;ethanethiol;sulfuric acid?
The IUPAC name of ethanamine;ethanethiol;sulfuric acid (CID 175094408) is ethanamine;ethanethiol;sulfuric acid.
What is the SMILES notation for ethanamine;ethanethiol;sulfuric acid?
The canonical SMILES for ethanamine;ethanethiol;sulfuric acid is CCN.CCS.O=S(=O)(O)O.
What is the InChIKey of ethanamine;ethanethiol;sulfuric acid?
The InChIKey is JADJFBNTSDWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H6S.H2O4S/c2*1-2-3;1-5(2,3)4/h2-3H2,1H3;3H,2H2,1H3;(H2,1,2,3,4).
What are the key properties of ethanamine;ethanethiol;sulfuric acid?
ethanamine;ethanethiol;sulfuric acid has a molecular weight of 205.30 g/mol, XLogP of 0.25, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethanethiol;sulfuric acid is sourced from PubChem (CID 175094408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).