2-aminoethanethiol;sulfurothioic O-acid

C2H9NO3S3 — CID 18968271

IUPAC2-aminoethanethiol;sulfurothioic O-acid
SMILESNCCS.O=S(O)(O)=S
InChIInChI=1S/C2H7NS.H2O3S2/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H2,1,2,3,4)
InChIKeyHWWAHSTYUATPAA-UHFFFAOYSA-N
MW191.30 g/mol
LogP-0.45
Rot. Bonds1

About 2-aminoethanethiol;sulfurothioic O-acid

2-aminoethanethiol;sulfurothioic O-acid (PubChem CID 18968271) has the molecular formula C2H9NO3S3 and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-aminoethanethiol;sulfurothioic O-acid.

Molecular Properties

Compound Name2-aminoethanethiol;sulfurothioic O-acid
PubChem CID18968271
Molecular FormulaC2H9NO3S3
Molecular Weight191.30 g/mol
Exact Mass190.97
IUPAC Name2-aminoethanethiol;sulfurothioic O-acid
SMILESNCCS.O=S(O)(O)=S
InChIInChI=1S/C2H7NS.H2O3S2/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H2,1,2,3,4)
InChIKeyHWWAHSTYUATPAA-UHFFFAOYSA-N
XLogP-0.45
TPSA83.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;sulfurothioic O-acid?
The IUPAC name of 2-aminoethanethiol;sulfurothioic O-acid (CID 18968271) is 2-aminoethanethiol;sulfurothioic O-acid.
What is the SMILES notation for 2-aminoethanethiol;sulfurothioic O-acid?
The canonical SMILES for 2-aminoethanethiol;sulfurothioic O-acid is NCCS.O=S(O)(O)=S.
What is the InChIKey of 2-aminoethanethiol;sulfurothioic O-acid?
The InChIKey is HWWAHSTYUATPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.H2O3S2/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H2,1,2,3,4).
What are the key properties of 2-aminoethanethiol;sulfurothioic O-acid?
2-aminoethanethiol;sulfurothioic O-acid has a molecular weight of 191.30 g/mol, XLogP of -0.45, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;sulfurothioic O-acid is sourced from PubChem (CID 18968271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).