S-(1,3-thiazol-5-yl)thiohydroxylamine

C3H4N2S2 — CID 141165556

IUPACS-(1,3-thiazol-5-yl)thiohydroxylamine
SMILESNSc1cncs1
InChIInChI=1S/C3H4N2S2/c4-7-3-1-5-2-6-3/h1-2H,4H2
InChIKeyOHNFMXYPKOPJGO-UHFFFAOYSA-N
MW132.21 g/mol
LogP1.11
Rot. Bonds1

About S-(1,3-thiazol-5-yl)thiohydroxylamine

S-(1,3-thiazol-5-yl)thiohydroxylamine (PubChem CID 141165556) has the molecular formula C3H4N2S2 and a molecular weight of 132.21 g/mol. Its IUPAC name is S-(1,3-thiazol-5-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1,3-thiazol-5-yl)thiohydroxylamine
PubChem CID141165556
Molecular FormulaC3H4N2S2
Molecular Weight132.21 g/mol
Exact Mass131.98
IUPAC NameS-(1,3-thiazol-5-yl)thiohydroxylamine
SMILESNSc1cncs1
InChIInChI=1S/C3H4N2S2/c4-7-3-1-5-2-6-3/h1-2H,4H2
InChIKeyOHNFMXYPKOPJGO-UHFFFAOYSA-N
XLogP1.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-(1,3-thiazol-5-yl)thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-thiazol-5-ylsulfanylformic acid
CID 88804880
N,N-dimethyl-2-(1,3-thiazol-5-ylsulfanyl)ethanamine
CID 91801644
3-(1,3-thiazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 90242583
1,3-thiazole-5-thiol
CID 4713214
5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole
CID 143886123
iridium;5-methyl-1,3-thiazole
CID 141044355
chloro(1,3-thiazol-5-yl)methanamine
CID 67926841
(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
2-(1,3-thiazol-5-yl)ethynamine
CID 174544163
1,3-thiazole-5-carbothiohydrazide
CID 88657254
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589

Frequently Asked Questions

What is the IUPAC name of S-(1,3-thiazol-5-yl)thiohydroxylamine?
The IUPAC name of S-(1,3-thiazol-5-yl)thiohydroxylamine (CID 141165556) is S-(1,3-thiazol-5-yl)thiohydroxylamine.
What is the SMILES notation for S-(1,3-thiazol-5-yl)thiohydroxylamine?
The canonical SMILES for S-(1,3-thiazol-5-yl)thiohydroxylamine is NSc1cncs1.
What is the InChIKey of S-(1,3-thiazol-5-yl)thiohydroxylamine?
The InChIKey is OHNFMXYPKOPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2/c4-7-3-1-5-2-6-3/h1-2H,4H2.
What are the key properties of S-(1,3-thiazol-5-yl)thiohydroxylamine?
S-(1,3-thiazol-5-yl)thiohydroxylamine has a molecular weight of 132.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1,3-thiazol-5-yl)thiohydroxylamine is sourced from PubChem (CID 141165556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).