Home > Compound List > Compound details
196929-78-9 molecular structure
click picture or here to close

tert-butyldimethyl-λ4-sulfanamine hydrate

ChemBase ID: 163491
Molecular Formular: C6H19NOS
Molecular Mass: 153.28616
Monoisotopic Mass: 153.11873523
SMILES and InChIs

SMILES:
C(S(N)(C)C)(C)(C)C.O
Canonical SMILES:
CS(C(C)(C)C)(N)C.O
InChI:
InChI=1S/C6H17NS.H2O/c1-6(2,3)8(4,5)7;/h7H2,1-5H3;1H2
InChIKey:
NSAOLTYLRDNBOQ-UHFFFAOYSA-N

Cite this record

CBID:163491 http://www.chembase.cn/molecule-163491.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyldimethyl-λ4-sulfanamine hydrate
IUPAC Traditional name
tert-butyldimethyl-λ4-sulfanamine hydrate
Synonyms
(R)-(+)-2-Methyl-2-propanesulfinamide
(R)-N-tert-Butanesulfinamide
(R)-tert-Butanesulfinamide
(R)-tert-Butylsulfinamide
CAS Number
196929-78-9
PubChem SID
162257626
PubChem CID
46780955

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B693760 external link Add to cart
PubChem 46780955 external link
Data Source Data ID Price
TRC
B693760 external link Add to cart Please log in.
Data Source Data ID
PubChem 46780955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5959339  LogD (pH = 7.4) 0.87980515 
Log P 1.0822  Molar Refractivity 42.1024 cm3
Polarizability 17.122808 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Off-White to Yellow Solid expand Show data source
Melting Point
104-106°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B693760 external link
(R)-tert-Butylsulfinamide is a chiral ligand used in pharmaceutical compositions. (R)-tert-Butylsulfinamide can be readily transformed into P,N-sulfinyl imine ligands through condensation with aldehydes and ketones, which can undergo iridium-catalyzed asy

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Szallasi, A., et al.: Pharmacol. Rev., 51, 159 (1999)
  • • Montell, C., et al.: Mol. Cell., 9, 229 (1999)
  • • Ryu, C., et al.: Bioorg. Med. Chem. Lett., 14, 1751 (1999)
  • • Suh, Y., et al.: J. Med. Chem., 48, 5823 (1999)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle