S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine

C4H9NS3 — CID 89370969

IUPACS-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine
SMILESNSCC1SCCS1
InChIInChI=1S/C4H9NS3/c5-8-3-4-6-1-2-7-4/h4H,1-3,5H2
InChIKeyQYJWHEFIWDOIPH-UHFFFAOYSA-N
MW167.32 g/mol
LogP1.40
Rot. Bonds2

About S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine

S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine (PubChem CID 89370969) has the molecular formula C4H9NS3 and a molecular weight of 167.32 g/mol. Its IUPAC name is S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine
PubChem CID89370969
Molecular FormulaC4H9NS3
Molecular Weight167.32 g/mol
Exact Mass166.99
IUPAC NameS-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine
SMILESNSCC1SCCS1
InChIInChI=1S/C4H9NS3/c5-8-3-4-6-1-2-7-4/h4H,1-3,5H2
InChIKeyQYJWHEFIWDOIPH-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine?
The IUPAC name of S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine (CID 89370969) is S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine.
What is the SMILES notation for S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine?
The canonical SMILES for S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine is NSCC1SCCS1.
What is the InChIKey of S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine?
The InChIKey is QYJWHEFIWDOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS3/c5-8-3-4-6-1-2-7-4/h4H,1-3,5H2.
What are the key properties of S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine?
S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine has a molecular weight of 167.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1,3-dithiolan-2-ylmethyl)thiohydroxylamine is sourced from PubChem (CID 89370969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).