N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine

C3H6N2S2 — CID 146475647

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine
SMILESSNC1=NCCS1
InChIInChI=1S/C3H6N2S2/c6-5-3-4-1-2-7-3/h6H,1-2H2,(H,4,5)
InChIKeyBLPICSFPXIGHFV-UHFFFAOYSA-N
MW134.23 g/mol
LogP0.52
Rot. Bonds

About N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine

N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine (PubChem CID 146475647) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine
PubChem CID146475647
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine
SMILESSNC1=NCCS1
InChIInChI=1S/C3H6N2S2/c6-5-3-4-1-2-7-3/h6H,1-2H2,(H,4,5)
InChIKeyBLPICSFPXIGHFV-UHFFFAOYSA-N
XLogP0.52
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
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 N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine (CID 146475647) is N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine is SNC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine?
The InChIKey is BLPICSFPXIGHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c6-5-3-4-1-2-7-3/h6H,1-2H2,(H,4,5).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine?
N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine has a molecular weight of 134.23 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)thiohydroxylamine is sourced from PubChem (CID 146475647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).