(tert-butylamino)sulfanyl thiohypoiodite

C4H10INS2 — CID 126761796

IUPAC(tert-butylamino)sulfanyl thiohypoiodite
SMILESCC(C)(C)NSSI
InChIInChI=1S/C4H10INS2/c1-4(2,3)6-8-7-5/h6H,1-3H3
InChIKeyOECFBHNMMIIHEF-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.02
Rot. Bonds2

About (tert-butylamino)sulfanyl thiohypoiodite

(tert-butylamino)sulfanyl thiohypoiodite (PubChem CID 126761796) has the molecular formula C4H10INS2 and a molecular weight of 263.17 g/mol. Its IUPAC name is (tert-butylamino)sulfanyl thiohypoiodite.

Molecular Properties

Compound Name(tert-butylamino)sulfanyl thiohypoiodite
PubChem CID126761796
Molecular FormulaC4H10INS2
Molecular Weight263.17 g/mol
Exact Mass262.93
IUPAC Name(tert-butylamino)sulfanyl thiohypoiodite
SMILESCC(C)(C)NSSI
InChIInChI=1S/C4H10INS2/c1-4(2,3)6-8-7-5/h6H,1-3H3
InChIKeyOECFBHNMMIIHEF-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)sulfanyl thiohypoiodite?
The IUPAC name of (tert-butylamino)sulfanyl thiohypoiodite (CID 126761796) is (tert-butylamino)sulfanyl thiohypoiodite.
What is the SMILES notation for (tert-butylamino)sulfanyl thiohypoiodite?
The canonical SMILES for (tert-butylamino)sulfanyl thiohypoiodite is CC(C)(C)NSSI.
What is the InChIKey of (tert-butylamino)sulfanyl thiohypoiodite?
The InChIKey is OECFBHNMMIIHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INS2/c1-4(2,3)6-8-7-5/h6H,1-3H3.
What are the key properties of (tert-butylamino)sulfanyl thiohypoiodite?
(tert-butylamino)sulfanyl thiohypoiodite has a molecular weight of 263.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)sulfanyl thiohypoiodite is sourced from PubChem (CID 126761796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).