S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine

C7H12N2S2 — CID 142522584

IUPACS-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine
SMILESCC(C)(C)c1ncc(SN)s1
InChIInChI=1S/C7H12N2S2/c1-7(2,3)6-9-4-5(10-6)11-8/h4H,8H2,1-3H3
InChIKeyVJDLQBHSWBRACH-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.41
Rot. Bonds1

About S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine

S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine (PubChem CID 142522584) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine
PubChem CID142522584
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC NameS-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine
SMILESCC(C)(C)c1ncc(SN)s1
InChIInChI=1S/C7H12N2S2/c1-7(2,3)6-9-4-5(10-6)11-8/h4H,8H2,1-3H3
InChIKeyVJDLQBHSWBRACH-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-(2-tert-butyl-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

Frequently Asked Questions

What is the IUPAC name of S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine?
The IUPAC name of S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine (CID 142522584) is S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine.
What is the SMILES notation for S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine?
The canonical SMILES for S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine is CC(C)(C)c1ncc(SN)s1.
What is the InChIKey of S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine?
The InChIKey is VJDLQBHSWBRACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-7(2,3)6-9-4-5(10-6)11-8/h4H,8H2,1-3H3.
What are the key properties of S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine?
S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine has a molecular weight of 188.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-tert-butyl-1,3-thiazol-5-yl)thiohydroxylamine is sourced from PubChem (CID 142522584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).