tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine

C13H18N2S2 — CID 174963033

IUPACtert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine
SMILESCC(C)(C)c1ccccc1.NSc1nccs1
InChIInChI=1S/C10H14.C3H4N2S2/c1-10(2,3)9-7-5-4-6-8-9;4-7-3-5-1-2-6-3/h4-8H,1-3H3;1-2H,4H2
InChIKeyOJOSXTLZQJSFJQ-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.09
Rot. Bonds1

About tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine

tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine (PubChem CID 174963033) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine.

Molecular Properties

Compound Nametert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine
PubChem CID174963033
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Nametert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine
SMILESCC(C)(C)c1ccccc1.NSc1nccs1
InChIInChI=1S/C10H14.C3H4N2S2/c1-10(2,3)9-7-5-4-6-8-9;4-7-3-5-1-2-6-3/h4-8H,1-3H3;1-2H,4H2
InChIKeyOJOSXTLZQJSFJQ-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.09
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 tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine?
The IUPAC name of tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine (CID 174963033) is tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine.
What is the SMILES notation for tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine?
The canonical SMILES for tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine is CC(C)(C)c1ccccc1.NSc1nccs1.
What is the InChIKey of tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine?
The InChIKey is OJOSXTLZQJSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H4N2S2/c1-10(2,3)9-7-5-4-6-8-9;4-7-3-5-1-2-6-3/h4-8H,1-3H3;1-2H,4H2.
What are the key properties of tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine?
tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine has a molecular weight of 266.44 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;S-(1,3-thiazol-2-yl)thiohydroxylamine is sourced from PubChem (CID 174963033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).